SMIRKS
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:100])[C@:6]([O:7][P:8](=[O:9])([O:10][H:101])[O:11][P:12](=[O:13])([O:14][H:102])[O:15][C:16]([C:17](=[C:18]([C:19]([H:103])([H:104])[H:105])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:106])([H:107])[H:108])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:109])([H:110])[H:111])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:112])([H:113])[H:114])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:115])([H:116])[H:117])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:118])([H:119])[H:120])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:121])([H:122])[H:123])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:124])([H:125])[H:126])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:127])([H:128])[H:129])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:130])([H:131])[H:132])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:133])([H:134])[H:135])[C:70]([H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])[H:186])([H:187])[H:188])[H:189])([H:190])[H:191])([H:192])[O:71][C@@:72]([C:73]([O:74][H:193])([H:194])[H:195])([H:196])[C@:75]([O:76][H:197])([H:198])[C@@:77]1([O:78][H:199])[H:200])[H:201])([H:202])([H:203])[H:204]>>[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:8]([O:7][C@:6]1([H:192])[C@@:5]([N:4]([C:2]([C:1]([H:202])([H:203])[H:204])=[O:3])[H:201])([H:100])[C@:77]([O:78][H:199])([H:200])[C@@:75]([O:76][H:197])([H:198])[C@:72]([C:73]([O:74][H:193])([H:194])[H:195])([H:196])[O:71]1)(=[O:9])[O:10][H:101].[H][O:11][P:12](=[O:13])([O:14][H:102])[O:15][C:16]([C:17](=[C:18]([C:19]([H:103])([H:104])[H:105])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:106])([H:107])[H:108])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:109])([H:110])[H:111])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:112])([H:113])[H:114])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:115])([H:116])[H:117])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:118])([H:119])[H:120])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:121])([H:122])[H:123])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:124])([H:125])[H:126])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:127])([H:128])[H:129])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:130])([H:131])[H:132])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:133])([H:134])[H:135])[C:70]([H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])[H:186])([H:187])[H:188])[H:189])([H:190])[H:191]
Derived Operators
EVODEX.1-F292 - Elemental Balance
| P | 1 |
| O | 9 |
| C | 9 |
| N | 2 |
| H | 13 |
EVODEX.1-M318 - Mass Difference
324.03589
EVODEX.1-E1057 - Reaction Operator E
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H].[#8:11](-[#15:12])-[H]
EVODEX.1-C998 - Reaction Operator C
([#15:8]-[#8:11].[#6@@:72]-[#6@:75]-[#6@@:77])>>([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:8].[#6@:77]-[#6@@:75]-[#6@:72]).[H]-[#8:11]
EVODEX.1-N1236 - Reaction Operator N
([#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12].[#8:71]-[#6@@:72](-[#6:73])(-[H:196])-[#6@:75](-[#8:76])(-[H:198])-[#6@@:77](-[#6@@:5])(-[#8:78])-[H:200])>>([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[#8:78]-[#6@@:77](-[#6@@:5])(-[H:200])-[#6@@:75](-[#8:76])(-[H:198])-[#6@:72](-[#6:73])(-[H:196])-[#8:71]).[H]-[#8:11]-[#15:12]
EVODEX.1-Em36 - Reaction Operator Em
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
EVODEX.1-Nm39 - Reaction Operator Nm
[#8:7]-[#15:8](=[#8:9])(-[#8:10])-[#8:11]-[#15:12]>>[#15]-[#8]-[#15:8](-[#8:7])(=[#8:9])-[#8:10].[H]-[#8:11]-[#15:12]
Source Full Reactions
EVODEX.1-R4534
[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:100])[C@:6]([O:7][P:8](=[O:9])([O:10][H:101])[O:11][P:12](=[O:13])([O:14][H:102])[O:15][C:16]([C:17](=[C:18]([C:19]([H:103])([H:104])[H:105])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:106])([H:107])[H:108])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:109])([H:110])[H:111])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:112])([H:113])[H:114])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:115])([H:116])[H:117])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:118])([H:119])[H:120])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:121])([H:122])[H:123])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:124])([H:125])[H:126])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:127])([H:128])[H:129])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:130])([H:131])[H:132])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:133])([H:134])[H:135])[C:70]([H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])[H:186])([H:187])[H:188])[H:189])([H:190])[H:191])([H:192])[O:71][C@@:72]([C:73]([O:74][H:193])([H:194])[H:195])([H:196])[C@:75]([O:76][H:197])([H:198])[C@@:77]1([O:78][H:199])[H:200])[H:201])([H:202])([H:203])[H:204].[H][O:91][P:89]([O:88][C:87]([C@@:86]1([H:212])[O:85][C@:84]([N:83]2:[C:82]([H:206]):[C:81]([H:205]):[C:80](=[O:79]):[N:99]([H:217]):[C:97]:2=[O:98])([H:207])[C@@:95]([O:96][H:215])([H:216])[C@@:93]1([O:94][H:213])[H:214])([H:210])[H:211])(=[O:90])[O:92][H:209]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:100])[C@:6]([O:7][P:8](=[O:9])([O:10][H:101])[O:91][P:89]([O:88][C:87]([C@@:86]2([H:212])[O:85][C@:84]([N:83]3:[C:82]([H:206]):[C:81]([H:205]):[C:80](=[O:79]):[N:99]([H:217]):[C:97]:3=[O:98])([H:207])[C@@:95]([O:96][H:215])([H:216])[C@@:93]2([O:94][H:213])[H:214])([H:210])[H:211])(=[O:90])[O:92][H:209])([H:192])[O:71][C@@:72]([C:73]([O:74][H:193])([H:194])[H:195])([H:196])[C@:75]([O:76][H:197])([H:198])[C@@:77]1([O:78][H:199])[H:200])[H:201])([H:202])([H:203])[H:204].[H][O:11][P:12](=[O:13])([O:14][H:102])[O:15][C:16]([C:17](=[C:18]([C:19]([H:103])([H:104])[H:105])[C:20]([C:21]([C:22](=[C:23]([C:24]([H:106])([H:107])[H:108])[C:25]([C:26]([C:27](=[C:28]([C:29]([H:109])([H:110])[H:111])[C:30]([C:31]([C:32](=[C:33]([C:34]([H:112])([H:113])[H:114])[C:35]([C:36]([C:37](=[C:38]([C:39]([H:115])([H:116])[H:117])[C:40]([C:41]([C:42](=[C:43]([C:44]([H:118])([H:119])[H:120])[C:45]([C:46]([C:47](=[C:48]([C:49]([H:121])([H:122])[H:123])[C:50]([C:51]([C:52](=[C:53]([C:54]([H:124])([H:125])[H:126])[C:55]([C:56]([C:57](=[C:58]([C:59]([H:127])([H:128])[H:129])[C:60]([C:61]([C:62](=[C:63]([C:64]([H:130])([H:131])[H:132])[C:65]([C:66]([C:67](=[C:68]([C:69]([H:133])([H:134])[H:135])[C:70]([H:136])([H:137])[H:138])[H:139])([H:140])[H:141])([H:142])[H:143])[H:144])([H:145])[H:146])([H:147])[H:148])[H:149])([H:150])[H:151])([H:152])[H:153])[H:154])([H:155])[H:156])([H:157])[H:158])[H:159])([H:160])[H:161])([H:162])[H:163])[H:164])([H:165])[H:166])([H:167])[H:168])[H:169])([H:170])[H:171])([H:172])[H:173])[H:174])([H:175])[H:176])([H:177])[H:178])[H:179])([H:180])[H:181])([H:182])[H:183])[H:184])([H:185])[H:186])([H:187])[H:188])[H:189])([H:190])[H:191]