SMIRKS
[C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[S:12][C:13]([C:14]([C@:15]([N:16]([H:28])[H:29])([C:17](=[O:18])[O:19][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38]>>[H]C([H])([H])C(=O)O[C:13]([C:14]([C@:15]([N:16]([H:28])[H:29])([C:17](=[O:18])[O:19][H:30])[H:31])([H:32])[H:33])([H:34])[H:35].[H][S:12][C:11]1:[C:6]([C:5]([H:36])([H:37])[H:38]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[H:27]
Derived Operators
EVODEX.1-F234 - Elemental Balance
| O | 2 |
| C | 2 |
| H | 4 |
EVODEX.1-M75 - Mass Difference
60.02112
EVODEX.1-E955 - Reaction Operator E
[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[#6](-[#6](=[#8])-[#8]-[#6:9](-[#6:10])(-[H:26])-[H:27])(-[H])(-[H])-[H].[#6:6]-[#16:8]-[H]
EVODEX.1-C873 - Reaction Operator C
[#16:8]-[#6:9]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:9].[H]-[#16:8]
EVODEX.1-N1099 - Reaction Operator N
[#6:6]-[#16:8]-[#6:9](-[#6:10])(-[H:26])-[H:27]>>[H]-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[#6:9](-[#6:10])(-[H:26])-[H:27].[H]-[#16:8]-[#6:6]
EVODEX.1-Em518 - Reaction Operator Em
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
EVODEX.1-Nm469 - Reaction Operator Nm
[#6:6]-[#16:8]-[#6:9]-[#6:10]>>[#6]-[#8]-[#6:9]-[#6:10].[H]-[#16:8]-[#6:6]
Source Full Reactions
EVODEX.1-R3383
[H][O:4][C:2]([C:1]([H:21])([H:22])[H:23])=[O:3].[C:5]([C:6]1:[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]([H:27]):[C:11]:1[S:12][C:13]([C:14]([C@:15]([N:16]([H:28])[H:29])([C:17](=[O:18])[O:19][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:36])([H:37])[H:38]>>[C:1]([C:2](=[O:3])[O:4][C:13]([C:14]([C@:15]([N:16]([H:28])[H:29])([C:17](=[O:18])[O:19][H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([H:21])([H:22])[H:23].[H][S:12][C:11]1:[C:6]([C:5]([H:36])([H:37])[H:38]):[C:7]([H:24]):[C:8]([H:25]):[C:9]([H:26]):[C:10]:1[H:27]