SMIRKS
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32]>>[H]N([H])[C@@:5]([H])([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])[C:7](=[O:8])[O:9][H:25].[H]OC(=O)C(C([H])([H])C(=O)C1:C([H]):C([H]):C([H]):C([H]):C:1N([H])[H])=[O:6]
Derived Operators
EVODEX.1-F439 - Elemental Balance
| C | 10 |
| O | 3 |
| N | 2 |
| H | 12 |
EVODEX.1-M422 - Mass Difference
208.08486
EVODEX.1-E1248 - Reaction Operator E
[#6:3]-[#6:5](=[#8:6])-[#6:7]=[#8:8]>>[#6:3]-[#6:5](-[#6:7]=[#8:8])(-[#7](-[H])-[H])-[H].[#8:6]=[#6](-[#6](-[#6](-[#6]1:[#6](-[#7](-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])=[#8])(-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C465 - Reaction Operator C
[#6:19]=[#8:20]>>[H]-[#7](-[H])-[#6:19]-[H].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
EVODEX.1-N565 - Reaction Operator N
[#6:17]-[#6:19](=[#8:20])-[#6:21]>>[H]-[#7](-[H])-[#6:19](-[H])(-[#6:17])-[#6:21].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[#7](-[H])-[H])=[#8:20]
EVODEX.1-Em18 - Reaction Operator Em
[#8:10]=[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6](=[#8])-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11]=[#8:10])-[#6:15]
EVODEX.1-Nm14 - Reaction Operator Nm
[#6:11]-[#6:13](=[#8:14])-[#6:15]>>[#6]-[#6](-[#6])=[#8:14].[H]-[#7](-[H])-[#6:13](-[H])(-[#6:11])-[#6:15]
Source Full Reactions
EVODEX.1-R3794
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:25])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][C@@:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:43])[H:44]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])=[O:18])([H:41])[H:42])([N:21]([H:37])[H:38])[C:22](=[O:23])[O:24][H:39]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([C:7](=[O:8])[O:9][H:25])[N:21]([H:37])[H:38].[O:6]=[C:20]([C:19]([C:17]([C:16]1:[C:11]([N:10]([H:43])[H:44]):[C:12]([H:33]):[C:13]([H:34]):[C:14]([H:35]):[C:15]:1[H:36])=[O:18])([H:41])[H:42])[C:22](=[O:23])[O:24][H:39]