SMIRKS
[H]O[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7]>>[H]OC(=O)[C@]1([H])N2C(=O)[C@@]([H])(N([H])[C:6]([C:5]([C:4](=[C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])[H:27])[H:26])([H:24])[H:25])=[O:7])[C@@]2([H])SC1(C([H])([H])[H])C([H])([H])[H]
Derived Operators
EVODEX.1-F157 - Elemental Balance
| O | 2 |
| C | 8 |
| S | 1 |
| N | 2 |
| H | 10 |
EVODEX.1-M256 - Mass Difference
198.04640000000003
EVODEX.1-E821 - Reaction Operator E
[#6:2]-[#6:10](=[#8:11])-[#8]-[H]>>[#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]
EVODEX.1-C679 - Reaction Operator C
[H]-[#8]-[#6:10]>>[H]-[#8]-[#6](=[#8])-[#6@]1(-[H])-[#7]2-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10])-[#6@@]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-N837 - Reaction Operator N
[H]-[#8]-[#6:10](-[#6:2])=[#8:11]>>[H]-[#8]-[#6](=[#8])-[#6@]1(-[H])-[#7]2-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:10](-[#6:2])=[#8:11])-[#6@@]-2(-[H])-[#16]-[#6]-1(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R6197
[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[O:8][H:23])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][N:15]([C@@:14]1([H:39])[C@@:13]2([H:36])[S:12][C:10]([C:9]([H:42])([H:43])[H:44])([C:11]([H:33])([H:34])[H:35])[C@@:19]([C:20](=[O:21])[O:22][H:40])([H:41])[N:18]2[C:16]1=[O:17])[H:37]>>[C:1]([C:2]([C:3](=[C:4]([C:5]([C:6](=[O:7])[N:15]([C@@:14]1([H:39])[C@@:13]2([H:36])[S:12][C:10]([C:9]([H:42])([H:43])[H:44])([C:11]([H:33])([H:34])[H:35])[C@@:19]([C:20](=[O:21])[O:22][H:40])([H:41])[N:18]2[C:16]1=[O:17])[H:37])([H:24])[H:25])[H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:8][H:23]