SMIRKS
[H]O[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([N:6]([H:46])[H:47])[H:49])=[O:8]>>[H]OC(=O)C([H])([H])N([H])[C:7]([C@:5]([C:4]([C:3]([S:2][C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([N:6]([H:46])[H:47])[H:49])=[O:8]
Derived Operators
EVODEX.1-F224 - Elemental Balance
| O | 1 |
| C | 2 |
| N | 1 |
| H | 3 |
EVODEX.1-M134 - Mass Difference
57.02149000000001
EVODEX.1-E941 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])-[H]
EVODEX.1-C818 - Reaction Operator C
[H]-[#8]-[#6:16]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16]
EVODEX.1-N1029 - Reaction Operator N
[H]-[#8]-[#6:16](-[#6@@:7])=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#6:16](-[#6@@:7])=[#8:17]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R7832
[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:46])[H:47])([C:7](=[O:8])[O:9][H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][N:10]([C:11]([C:12](=[O:13])[O:14][H:57])([H:58])[H:59])[H:60].[N:15]([C:16]1:[N:17]:[C:18]([H:62]):[N:19]:[C:20]2:[C:21]:1:[N:22]:[C:23]([H:63]):[N:24]:2[C@:25]1([H:64])[O:26][C@@:27]([C:28]([O:29][P:30](=[O:31])([O:32][H:65])[O:33][P:34](=[O:35])([O:36][H:66])[O:37][P:38](=[O:39])([O:40][H:67])[O:41][H:68])([H:69])[H:70])([H:71])[C@:42]([O:43][H:72])([H:73])[C@:44]1([O:45][H:74])[H:75])([H:76])[H:77]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([H:46])[H:47])([C:7](=[O:8])[N:10]([C:11]([C:12](=[O:13])[O:14][H:57])([H:58])[H:59])[H:60])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][O:37][P:38](=[O:39])([O:40][H:67])[O:41][H:68].[O:9]([P:34]([O:33][P:30]([O:29][C:28]([C@@:27]1([H:71])[O:26][C@:25]([N:24]2:[C:20]3:[N:19]:[C:18]([H:62]):[N:17]:[C:16]([N:15]([H:76])[H:77]):[C:21]:3:[N:22]:[C:23]:2[H:63])([H:64])[C@@:44]([O:45][H:74])([H:75])[C@@:42]1([O:43][H:72])[H:73])([H:69])[H:70])(=[O:31])[O:32][H:65])(=[O:35])[O:36][H:66])[H:48]