SMIRKS
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28]>>[H]N([H])[C@@:5]([H])([C:4]([C:3]([S:2][C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])[C:7](=[O:8])[O:9][H:21].[H]OC(=O)C(C([H])([H])C1:C([H]):N:C([H]):N:1[H])=[O:6]
Derived Operators
EVODEX.1-F210 - Elemental Balance
| O | 2 |
| C | 6 |
| N | 3 |
| H | 9 |
EVODEX.1-M71 - Mass Difference
155.06957
EVODEX.1-E917 - Reaction Operator E
[#6:15]-[#6:16](=[#8:17])-[#6:18]=[#8:19]>>[#6](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#8]-[H])=[#8:17].[#7](-[#6@@:16](-[#6:15])(-[#6:18]=[#8:19])-[H])(-[H])-[H]
EVODEX.1-C430 - Reaction Operator C
[#6:16]=[#8:17]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H])=[#8:17].[H]-[#7](-[H])-[#6@@:16]-[H]
EVODEX.1-N520 - Reaction Operator N
[#6:15]-[#6:16](=[#8:17])-[#6:18]>>[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6]1:[#7]:[#6](-[H]):[#7](-[H]):[#6]:1-[H])=[#8:17].[H]-[#7](-[H])-[#6@@:16](-[H])(-[#6:15])-[#6:18]
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-R3540
[C:1]([S:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:21])([H:22])[H:23])([H:24])[H:25])([H:26])([H:27])[H:28].[H][C@:11]([N:10]([H:36])[H:37])([C:12]([C:13]1:[C:14]([H:29]):[N:15]:[C:16]([H:30]):[N:17]:1[H:31])([H:32])[H:33])[C:18](=[O:19])[O:20][H:34]>>[H][C@:5]([C:4]([C:3]([S:2][C:1]([H:26])([H:27])[H:28])([H:24])[H:25])([H:22])[H:23])([C:7](=[O:8])[O:9][H:21])[N:10]([H:36])[H:37].[O:6]=[C:11]([C:12]([C:13]1:[C:14]([H:29]):[N:15]:[C:16]([H:30]):[N:17]:1[H:31])([H:32])[H:33])[C:18](=[O:19])[O:20][H:34]