SMIRKS
[H][N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]>>[H]C1:N:C(C([H])([H])[H]):N:C(N([H])[H]):C:1C([H])([H])[N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]
Derived Operators
EVODEX.1-F417 - Elemental Balance
| C | 6 |
| N | 3 |
| H | 7 |
EVODEX.1-M405 - Mass Difference
121.06411
EVODEX.1-E1226 - Reaction Operator E
[#6:7]-[#7:8](-[H:50])-[H]>>[#6:7]-[#7:8](-[#6](-[#6]1:[#6](-[H]):[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6]:1-[#7](-[H])-[H])(-[H])-[H])-[H:50]
EVODEX.1-C401 - Reaction Operator C
[H]-[#7:19]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:19]
EVODEX.1-N481 - Reaction Operator N
[H]-[#7:19](-[#6:20])-[H:51]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:19](-[#6:20])-[H:51]
Source Full Reactions
EVODEX.1-R3325
[C:1]([C:2]1:[N:3]:[C:4]([H:29]):[C:5]([C:6]([N+:7]2:[C:8]([H:30]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:31])([H:32])[H:33])([H:34])[H:35]):[C:14]:2[C:15]([H:36])([H:37])[H:38])([H:39])[H:40]):[C:16]([N:17]([H:41])[H:42]):[N:18]:1)([H:43])([H:44])[H:45].[H][N:19]([C:20]1:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:1[H:50])[H:51]>>[C:1]([C:2]1:[N:3]:[C:4]([H:29]):[C:5]([C:6]([N:19]([C:20]2:[C:21]([H:46]):[C:22]([H:47]):[C:23]([C:24](=[O:25])[O:26][H:48]):[C:27]([H:49]):[C:28]:2[H:50])[H:51])([H:39])[H:40]):[C:16]([N:17]([H:41])[H:42]):[N:18]:1)([H:43])([H:44])[H:45].[HH].[N:7]1:[C:8]([H:30]):[S:9]:[C:10]([C:11]([C:12]([O:13][H:31])([H:32])[H:33])([H:34])[H:35]):[C:14]:1[C:15]([H:36])([H:37])[H:38]