SMIRKS
[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([O:37][H:125])([C:38](=[O:39])[S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:126])([C:53]([C:54]([H:127])([H:128])[H:129])([C:55]([H:130])([H:131])[H:132])[C:56]([O:57][P:58](=[O:59])([O:60][H:133])[O:61][P:62](=[O:63])([O:64][H:134])[O:65][C:66]([C@@:67]1([H:135])[O:68][C@:69]([N:70]2:[C:71]([H:136]):[N:72]:[C:73]3:[C:74]([N:75]([H:137])[H:138]):[N:76]:[C:77]([H:139]):[N:78]:[C:79]:2:3)([H:140])[C@@:80]([O:81][H:141])([H:142])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:143])[O:87][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]OC([H])([H])[C@]([H])(N([H])[C:38]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:188])([H:189])[H:190])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([O:37][H:125])[H:161])=[O:39])[C@]([H])(O[H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[H][S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:126])([C:53]([C:54]([H:127])([H:128])[H:129])([C:55]([H:130])([H:131])[H:132])[C:56]([O:57][P:58](=[O:59])([O:60][H:133])[O:61][P:62](=[O:63])([O:64][H:134])[O:65][C:66]([C@@:67]1([H:135])[O:68][C@:69]([N:70]2:[C:71]([H:136]):[N:72]:[C:73]3:[C:74]([N:75]([H:137])[H:138]):[N:76]:[C:77]([H:139]):[N:78]:[C:79]:2:3)([H:140])[C@@:80]([O:81][H:141])([H:142])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:143])[O:87][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]
Derived Operators
EVODEX.1-F350 - Elemental Balance
| C | 18 |
| O | 2 |
| N | 1 |
| H | 37 |
EVODEX.1-M151 - Mass Difference
299.28261000000003
EVODEX.1-E1141 - Reaction Operator E
[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](-[#6](=[#6](-[#6@@](-[#8]-[H])(-[#6@@](-[#7](-[#6:40](-[#6:38])=[#8:41])-[H])(-[#6](-[#8]-[H])(-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#16:42](-[#6:43])-[H]
EVODEX.1-C316 - Reaction Operator C
[#6:40]-[#16:42]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:42]
EVODEX.1-N366 - Reaction Operator N
[#6:38]-[#6:40](=[#8:41])-[#16:42]-[#6:43]>>[H]-[#8]-[#6](-[H])(-[H])-[#6@](-[H])(-[#7](-[H])-[#6:40](-[#6:38])=[#8:41])-[#6@](-[H])(-[#8]-[H])-[#6](-[H])=[#6](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H].[H]-[#16:42]-[#6:43]
EVODEX.1-Em90 - Reaction Operator Em
[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]
EVODEX.1-Nm56 - Reaction Operator Nm
[#6:2]-[#6:3](=[#8:4])-[#16:5]-[#6:6]>>[#6]-[#7](-[H])-[#6:3](-[#6:2])=[#8:4].[H]-[#16:5]-[#6:6]
Source Full Reactions
EVODEX.1-R2298
[H][N:19]([C@:18]([C@@:16]([C:15](=[C:14]([C:13]([C:12]([C:11]([C:10]([C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:122])([H:123])[H:124])([H:120])[H:121])([H:118])[H:119])([H:116])[H:117])([H:114])[H:115])([H:112])[H:113])([H:110])[H:111])([H:108])[H:109])([H:106])[H:107])([H:104])[H:105])([H:102])[H:103])([H:100])[H:101])([H:98])[H:99])[H:97])[H:96])([O:17][H:88])[H:95])([C:20]([O:21][H:91])([H:92])[H:93])[H:94])[H:89].[C:22]([C:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([O:37][H:125])([C:38](=[O:39])[S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:126])([C:53]([C:54]([H:127])([H:128])[H:129])([C:55]([H:130])([H:131])[H:132])[C:56]([O:57][P:58](=[O:59])([O:60][H:133])[O:61][P:62](=[O:63])([O:64][H:134])[O:65][C:66]([C@@:67]1([H:135])[O:68][C@:69]([N:70]2:[C:71]([H:136]):[N:72]:[C:73]3:[C:74]([N:75]([H:137])[H:138]):[N:76]:[C:77]([H:139]):[N:78]:[C:79]:2:3)([H:140])[C@@:80]([O:81][H:141])([H:142])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:143])[O:87][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]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9]([C:10]([C:11]([C:12]([C:13]([C:14](=[C:15]([C@@:16]([O:17][H:88])([C@@:18]([N:19]([C:38]([C:36]([C:35]([C:34]([C:33]([C:32]([C:31]([C:30]([C:29]([C:28]([C:27]([C:26]([C:25]([C:24]([C:23]([C:22]([H:188])([H:189])[H:190])([H:186])[H:187])([H:184])[H:185])([H:182])[H:183])([H:180])[H:181])([H:178])[H:179])([H:176])[H:177])([H:174])[H:175])([H:172])[H:173])([H:170])[H:171])([H:168])[H:169])([H:166])[H:167])([H:164])[H:165])([H:162])[H:163])([O:37][H:125])[H:161])=[O:39])[H:89])([C:20]([O:21][H:91])([H:92])[H:93])[H:94])[H:95])[H:96])[H:97])([H:98])[H:99])([H:100])[H:101])([H:102])[H:103])([H:104])[H:105])([H:106])[H:107])([H:108])[H:109])([H:110])[H:111])([H:112])[H:113])([H:114])[H:115])([H:116])[H:117])([H:118])[H:119])([H:120])[H:121])([H:122])([H:123])[H:124].[H][S:40][C:41]([C:42]([N:43]([C:44](=[O:45])[C:46]([C:47]([N:48]([C:49](=[O:50])[C@:51]([O:52][H:126])([C:53]([C:54]([H:127])([H:128])[H:129])([C:55]([H:130])([H:131])[H:132])[C:56]([O:57][P:58](=[O:59])([O:60][H:133])[O:61][P:62](=[O:63])([O:64][H:134])[O:65][C:66]([C@@:67]1([H:135])[O:68][C@:69]([N:70]2:[C:71]([H:136]):[N:72]:[C:73]3:[C:74]([N:75]([H:137])[H:138]):[N:76]:[C:77]([H:139]):[N:78]:[C:79]:2:3)([H:140])[C@@:80]([O:81][H:141])([H:142])[C@@:82]1([O:83][P:84](=[O:85])([O:86][H:143])[O:87][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]