SMIRKS
[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[H]OC(=O)C1([H])N2C(=O)C([H])(N([H])[C:7]([C:6]([O:5][C:4]([C:2]([C:1]([H:45])([H:46])[H:47])([C:3]([H:36])([H:37])[H:38])[H:44])([H:42])[H:43])([H:40])[H:41])=[O:8])C2([H])SC1(C([H])([H])[H])C([H])([H])[H].[H][O:9][H:39]
Derived Operators
EVODEX.1-F332 - Elemental Balance
| O | 3 |
| C | 8 |
| S | 1 |
| N | 2 |
| H | 12 |
EVODEX.1-M341 - Mass Difference
216.05696000000003
EVODEX.1-E1119 - Reaction Operator E
[#6:2]-[#6:10](=[#8:11])-[#8:12]-[H:44]>>[#6:2]-[#6:10](=[#8:11])-[#7](-[#6@@]1(-[H])-[#6@@]2(-[H])-[#16]-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[#6](=[#8])-[#8]-[H])(-[H])-[#7]-2-[#6]-1=[#8])-[H].[#8:12](-[H:44])-[H]
EVODEX.1-C680 - Reaction Operator C
[#6:7]-[#8:9]>>[H]-[#8]-[#6](=[#8])-[#6]1(-[H])-[#7]2-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:7])-[#6]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:9]
EVODEX.1-N838 - Reaction Operator N
[#6:6]-[#6:7](=[#8:8])-[#8:9]-[H:39]>>[H]-[#8]-[#6](=[#8])-[#6]1(-[H])-[#7]2-[#6](=[#8])-[#6](-[H])(-[#7](-[H])-[#6:7](-[#6:6])=[#8:8])-[#6]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:9]-[H:39]
EVODEX.1-Em71 - Reaction Operator Em
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
EVODEX.1-Nm85 - Reaction Operator Nm
[#6:19]-[#6:20](=[#8:21])-[#8:22]>>[#6]-[#7](-[H])-[#6:20](-[#6:19])=[#8:21].[H]-[#8:22]
Source Full Reactions
EVODEX.1-R6216
[H][N:16]([C:15]1([H:30])[C:14]2([H:27])[S:13][C:11]([C:10]([H:33])([H:34])[H:35])([C:12]([H:24])([H:25])[H:26])[C:20]([C:21](=[O:22])[O:23][H:31])([H:32])[N:19]2[C:17]1=[O:18])[H:28].[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[O:9][H:39])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47]>>[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4]([O:5][C:6]([C:7](=[O:8])[N:16]([C:15]1([H:30])[C:14]2([H:27])[S:13][C:11]([C:10]([H:33])([H:34])[H:35])([C:12]([H:24])([H:25])[H:26])[C:20]([C:21](=[O:22])[O:23][H:31])([H:32])[N:19]2[C:17]1=[O:18])[H:28])([H:40])[H:41])([H:42])[H:43])[H:44])([H:45])([H:46])[H:47].[H][O:9][H:39]