SMIRKS
[H]C([H])([H])C(=O)O[C:5]([C:6]([C@:7]([N:8]([H:20])[H:21])([C:9](=[O:10])[O:11][H:22])[H:23])([H:24])[H:25])([H:26])[H:27].[H][S:12][C:13]([C:14]1:[C:15]([H:31]):[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37]>>[C:5]([C:6]([C@:7]([N:8]([H:20])[H:21])([C:9](=[O:10])[O:11][H:22])[H:23])([H:24])[H:25])([S:12][C:13]([C:14]1:[C:15]([H:31]):[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:26])[H:27]
Derived Operators
EVODEX.1-F301 - Elemental Balance
| O | -2 |
| C | -2 |
| H | -4 |
EVODEX.1-M87 - Mass Difference
-60.02112
EVODEX.1-E1071 - Reaction Operator E
[#6:13]-[#16:15]-[H].[#6](-[#6](=[#8])-[#8]-[#6:5](-[#6:6])(-[H:26])-[H:27])(-[H])(-[H])-[H]>>[#6:5](-[#6:6])(-[#16:15]-[#6:13])(-[H:26])-[H:27]
EVODEX.1-C406 - Reaction Operator C
[H]-[#16:19].[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:5]>>[#6:5]-[#16:19]
EVODEX.1-N487 - Reaction Operator N
[H]-[#16:19]-[#6:18].[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:5](-[#6:6])(-[H:34])-[H:35]>>[#6:5](-[#6:6])(-[#16:19]-[#6:18])(-[H:34])-[H:35]
EVODEX.1-Em523 - Reaction Operator Em
[H]-[#16:19]-[#6:18].[#6]-[#8]-[#6:5]-[#6:6]>>[#6:5](-[#6:6])-[#16:19]-[#6:18]
EVODEX.1-Nm474 - Reaction Operator Nm
[H]-[#16:19]-[#6:18].[#6]-[#8]-[#6:5]-[#6:6]>>[#6:5](-[#6:6])-[#16:19]-[#6:18]
Source Full Reactions
EVODEX.1-R3381
[C:1]([C:2](=[O:3])[O:4][C:5]([C:6]([C@:7]([N:8]([H:20])[H:21])([C:9](=[O:10])[O:11][H:22])[H:23])([H:24])[H:25])([H:26])[H:27])([H:28])([H:29])[H:30].[H][S:12][C:13]([C:14]1:[C:15]([H:31]):[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37]>>[C:5]([C:6]([C@:7]([N:8]([H:20])[H:21])([C:9](=[O:10])[O:11][H:22])[H:23])([H:24])[H:25])([S:12][C:13]([C:14]1:[C:15]([H:31]):[C:16]([H:32]):[C:17]([H:33]):[C:18]([H:34]):[C:19]:1[H:35])([H:36])[H:37])([H:26])[H:27].[H][O:4][C:2]([C:1]([H:28])([H:29])[H:30])=[O:3]