SMIRKS
[H]N([H])[C@@:6]1([H:33])[C@@:5]2([H:30])[S:4][C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:27])([H:28])[H:29])[C@@:11]([C:12](=[O:13])[O:14][H:34])([H:35])[N:10]2[C:8]1=[O:9].[H][N:15]([C:16](=[O:17])[C@:18]([N:19]([H:39])[H:40])([C:20]1:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:1[H:45])[H:46])[H:47]>>[C:1]([C:2]1([C:3]([H:27])([H:28])[H:29])[S:4][C@:5]2([H:30])[C@@:6]([N:15]([C:16](=[O:17])[C@:18]([N:19]([H:39])[H:40])([C:20]3:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:3[H:45])[H:46])[H:47])([H:33])[C:8](=[O:9])[N:10]2[C@:11]1([C:12](=[O:13])[O:14][H:34])[H:35])([H:36])([H:37])[H:38]
Derived Operators
EVODEX.1-F73 - Elemental Balance
| N | -1 |
| H | -3 |
EVODEX.1-M12 - Mass Difference
-17.02659
EVODEX.1-E632 - Reaction Operator E
[#7](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[H])-[H].[#7:15](-[#6:16])(-[H:46])-[H]>>[#7:15](-[#6@:6](-[#6@:5])(-[H:32])-[#6:8])(-[#6:16])-[H:46]
EVODEX.1-C1438 - Reaction Operator C
([H]-[#7](-[H])-[#6@@:6]-[#6@@:5].[#6@@:11]).[H]-[#7:15]>>([#7:15]-[#6@@:6]-[#6@:5].[#6@:11])
EVODEX.1-N1833 - Reaction Operator N
[H]-[#7](-[H])-[#6@@:6]1(-[H:33])-[#6@@:5]2(-[H:30])-[#16:4]-[#6:2]-[#6@@:11](-[#6:12])(-[H:35])-[#7:10]-2-[#6:8]-1.[H]-[#7:15](-[#6:16])-[H:47]>>[#6:2]1-[#16:4]-[#6@:5]2(-[H:30])-[#6@@:6](-[#7:15](-[#6:16])-[H:47])(-[H:33])-[#6:8]-[#7:10]-2-[#6@:11]-1(-[#6:12])-[H:35]
EVODEX.1-Em810 - Reaction Operator Em
[H]-[#7](-[H])-[#6:6](-[#6:5])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8]
EVODEX.1-Nm727 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:6](-[#6:5])-[#6:8].[H]-[#7:15]-[#6:16]>>[#6:5]-[#6:6](-[#7:15]-[#6:16])-[#6:8]
Source Full Reactions
EVODEX.1-R6228
[C:1]([C:2]1([C:3]([H:27])([H:28])[H:29])[S:4][C@:5]2([H:30])[C@@:6]([N:7]([H:31])[H:32])([H:33])[C:8](=[O:9])[N:10]2[C@:11]1([C:12](=[O:13])[O:14][H:34])[H:35])([H:36])([H:37])[H:38].[H][N:15]([C:16](=[O:17])[C@:18]([N:19]([H:39])[H:40])([C:20]1:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:1[H:45])[H:46])[H:47]>>[C:1]([C:2]1([C:3]([H:27])([H:28])[H:29])[S:4][C@:5]2([H:30])[C@@:6]([N:15]([C:16](=[O:17])[C@:18]([N:19]([H:39])[H:40])([C:20]3:[C:21]([H:41]):[C:22]([H:42]):[C:23]([O:24][H:43]):[C:25]([H:44]):[C:26]:3[H:45])[H:46])[H:47])([H:33])[C:8](=[O:9])[N:10]2[C@:11]1([C:12](=[O:13])[O:14][H:34])[H:35])([H:36])([H:37])[H:38].[H][N:7]([H:31])[H:32]