SMIRKS
[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58](=[O:59])[C:60]([C:61](=[O:62])[S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:147])([C:76]([C:77]([H:148])([H:149])[H:150])([C:78]([H:151])([H:152])[H:153])[C:79]([O:80][P:81](=[O:82])([O:83][H:154])[O:84][P:85](=[O:86])([O:87][H:155])[O:88][C:89]([C@@:90]1([H:156])[O:91][C@:92]([N:93]2:[C:94]([H:157]):[N:95]:[C:96]3:[C:97]([N:98]([H:158])[H:159]):[N:99]:[C:100]([H:160]):[N:101]:[C:102]:2:3)([H:161])[C@@:103]([O:104][H:162])([H:163])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:164])[O:110][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])[H:193])([H:194])[H:195])([H:196])[H:197])([H:198])[H:199])([H:200])([H:201])[H:202]>>[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])=[O:59])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1.[H][C:60]([C:61](=[O:62])[S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:147])([C:76]([C:77]([H:148])([H:149])[H:150])([C:78]([H:151])([H:152])[H:153])[C:79]([O:80][P:81](=[O:82])([O:83][H:154])[O:84][P:85](=[O:86])([O:87][H:155])[O:88][C:89]([C@@:90]1([H:156])[O:91][C@:92]([N:93]2:[C:94]([H:157]):[N:95]:[C:96]3:[C:97]([N:98]([H:158])[H:159]):[N:99]:[C:100]([H:160]):[N:101]:[C:102]:2:3)([H:161])[C@@:103]([O:104][H:162])([H:163])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:164])[O:110][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]
Derived Operators
EVODEX.1-F117 - Elemental Balance
| P | 3 |
| O | 16 |
| C | 21 |
| S | 1 |
| N | 7 |
| H | 36 |
EVODEX.1-M20 - Mass Difference
767.1154799999999
EVODEX.1-E740 - Reaction Operator E
[#6:50]-[#6:51](=[#8:52])-[#6:53](-[#6:54])(-[H:175])-[H:176]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[#6@@](-[#8]-[H])(-[#6](=[#8])-[#7](-[#6](-[#6](-[#6](=[#8])-[#7](-[#6](-[#6](-[#16]-[#6:51](-[#6:50])=[#8:52])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])(-[H])-[H].[#6:53](-[#6:54])(-[H:175])(-[H:176])-[H]
EVODEX.1-C114 - Reaction Operator C
[#6:2]-[#6:4]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#6:4]
EVODEX.1-N342 - Reaction Operator N
[#6:1]-[#6:2](=[#8:3])-[#6:4](-[#6:5])(-[H:108])-[H:109]>>[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:2](-[#6:1])=[#8:3])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2.[H]-[#6:4](-[#6:5])(-[H:108])-[H:109]
EVODEX.1-Em441 - Reaction Operator Em
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#6:4]-[#6:5]
EVODEX.1-Nm394 - Reaction Operator Nm
[#6:1]-[#6:2](=[#8:3])-[#6:4]-[#6:5]>>[#6]-[#16]-[#6:2](-[#6:1])=[#8:3].[H]-[#6:4]-[#6:5]
Source Full Reactions
EVODEX.1-R2091
[H][S:48][C:47]([C:46]([N:45]([C:43]([C:42]([C:41]([N:40]([C:38]([C@@:36]([C:2]([C:1]([H:144])([H:145])[H:146])([C:3]([H:111])([H:112])[H:113])[C:4]([O:5][P:6](=[O:7])([O:8][H:114])[O:9][P:10](=[O:11])([O:12][H:115])[O:13][C:14]([C@@:15]1([H:116])[O:16][C@:17]([N:18]2:[C:19]([H:117]):[N:20]:[C:21]3:[C:22]([N:23]([H:118])[H:119]):[N:24]:[C:25]([H:120]):[N:26]:[C:27]:2:3)([H:121])[C@@:28]([O:29][H:122])([H:123])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:124])[O:35][H:125])[H:126])([H:127])[H:128])([H:129])[H:130])([O:37][H:131])[H:143])=[O:39])[H:142])([H:140])[H:141])([H:138])[H:139])=[O:44])[H:137])([H:135])[H:136])([H:133])[H:134].[C:49]([C:50]([C:51]([C:52]([C:53]([C:54]([C:55]([C:56]([C:57]([C:58](=[O:59])[C:60]([C:61](=[O:62])[S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:147])([C:76]([C:77]([H:148])([H:149])[H:150])([C:78]([H:151])([H:152])[H:153])[C:79]([O:80][P:81](=[O:82])([O:83][H:154])[O:84][P:85](=[O:86])([O:87][H:155])[O:88][C:89]([C@@:90]1([H:156])[O:91][C@:92]([N:93]2:[C:94]([H:157]):[N:95]:[C:96]3:[C:97]([N:98]([H:158])[H:159]):[N:99]:[C:100]([H:160]):[N:101]:[C:102]:2:3)([H:161])[C@@:103]([O:104][H:162])([H:163])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:164])[O:110][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])[H:193])([H:194])[H:195])([H:196])[H:197])([H:198])[H:199])([H:200])([H:201])[H:202]>>[C:1]([C:2]([C:3]([H:111])([H:112])[H:113])([C:4]([O:5][P:6](=[O:7])([O:8][H:114])[O:9][P:10](=[O:11])([O:12][H:115])[O:13][C:14]([C@@:15]1([H:116])[O:16][C@:17]([N:18]2:[C:19]([H:117]):[N:20]:[C:21]3:[C:22]([N:23]([H:118])[H:119]):[N:24]:[C:25]([H:120]):[N:26]:[C:27]:2:3)([H:121])[C@@:28]([O:29][H:122])([H:123])[C@@:30]1([O:31][P:32](=[O:33])([O:34][H:124])[O:35][H:125])[H:126])([H:127])[H:128])([H:129])[H:130])[C@@:36]([O:37][H:131])([C:38](=[O:39])[N:40]([C:41]([C:42]([C:43](=[O:44])[N:45]([C:46]([C:47]([S:48][C:58]([C:57]([C:56]([C:55]([C:54]([C:53]([C:52]([C:51]([C:50]([C:49]([H:200])([H:201])[H:202])([H:198])[H:199])([H:196])[H:197])([H:194])[H:195])([H:192])[H:193])([H:190])[H:191])([H:188])[H:189])([H:186])[H:187])([H:184])[H:185])=[O:59])([H:133])[H:134])([H:135])[H:136])[H:137])([H:138])[H:139])([H:140])[H:141])[H:142])[H:143])([H:144])([H:145])[H:146].[H][C:60]([C:61](=[O:62])[S:63][C:64]([C:65]([N:66]([C:67](=[O:68])[C:69]([C:70]([N:71]([C:72](=[O:73])[C@:74]([O:75][H:147])([C:76]([C:77]([H:148])([H:149])[H:150])([C:78]([H:151])([H:152])[H:153])[C:79]([O:80][P:81](=[O:82])([O:83][H:154])[O:84][P:85](=[O:86])([O:87][H:155])[O:88][C:89]([C@@:90]1([H:156])[O:91][C@:92]([N:93]2:[C:94]([H:157]):[N:95]:[C:96]3:[C:97]([N:98]([H:158])[H:159]):[N:99]:[C:100]([H:160]):[N:101]:[C:102]:2:3)([H:161])[C@@:103]([O:104][H:162])([H:163])[C@@:105]1([O:106][P:107](=[O:108])([O:109][H:164])[O:110][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]