SMIRKS
[H]O[C:18]([C@@:10]([N:9]([S:6]([C:5]1:[C:4]([H:25]):[C:3]([H:24]):[C:2]([C:1]([H:41])([H:42])[H:43]):[C:22]([H:40]):[C:21]:1[H:39])(=[O:7])=[O:8])[H:38])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:26])[N:17]([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:37])=[O:19]>>[H]N([H])[C:18]([C@@:10]([N:9]([S:6]([C:5]1:[C:4]([H:25]):[C:3]([H:24]):[C:2]([C:1]([H:41])([H:42])[H:43]):[C:22]([H:40]):[C:21]:1[H:39])(=[O:7])=[O:8])[H:38])([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:26])[N:17]([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])[H:37])=[O:19]
Derived Operators
EVODEX.1-F251 - Elemental Balance
| O | -1 |
| N | 1 |
| H | 1 |
EVODEX.1-M76 - Mass Difference
-0.9839699999999996
EVODEX.1-E975 - Reaction Operator E
[#8:33]=[#6:34](-[#8]-[H])-[#6:36]>>[#7](-[#6:34](=[#8:33])-[#6:36])(-[H])-[H]
EVODEX.1-N809 - Reaction Operator N
[H]-[#8]-[#6:3](=[#8:2])-[#6:5]>>[H]-[#7](-[H])-[#6:3](=[#8:2])-[#6:5]
EVODEX.1-Em656 - Reaction Operator Em
[H]-[#8]-[#6:3](=[#8:2])-[#6:5]>>[H]-[#7](-[H])-[#6:3](=[#8:2])-[#6:5]
EVODEX.1-Nm589 - Reaction Operator Nm
[H]-[#8]-[#6:3](=[#8:2])-[#6:5]>>[H]-[#7](-[H])-[#6:3](=[#8:2])-[#6:5]
Source Full Reactions
EVODEX.1-R6026
[C:1]([C:2]1:[C:3]([H:24]):[C:4]([H:25]):[C:5]([S:6](=[O:7])(=[O:8])[N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:26])[N:17]([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:18](=[O:19])[O:20][H:36])[H:37])[H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])([H:42])[H:43].[H][N:23]([H:44])[H:45]>>[C:1]([C:2]1:[C:3]([H:24]):[C:4]([H:25]):[C:5]([S:6](=[O:7])(=[O:8])[N:9]([C@@:10]([C:11]([C:12]([C:13]([N:14]([C:15](=[N:16][H:26])[N:17]([H:27])[H:28])[H:29])([H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:18](=[O:19])[N:23]([H:44])[H:45])[H:37])[H:38]):[C:21]([H:39]):[C:22]:1[H:40])([H:41])([H:42])[H:43].[H][O:20][H:36]