SMIRKS
[H][N:6]([C:5]1:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:33])([H:34])[H:35]):[C:8]([H:32]):[C:7]:1[H:31])[H:29]>>[H]N=C1:C(C([H])([H])[N:6]([C:5]2:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:33])([H:34])[H:35]):[C:8]([H:32]):[C:7]:2[H:31])[H:29]):C([H]):N:C(C([H])([H])[H]):N:1[H]
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-R3323
[H][N:6]([C:5]1:[C:4]([H:28]):[C:3]([H:27]):[C:2]([C:1]([H:33])([H:34])[H:35]):[C:8]([H:32]):[C:7]:1[H:31])[H:29].[C:9]([C:10]1:[N:11]:[C:12]([H:36]):[C:13]([C:14]([N+:15]2:[C:16]([H:37]):[S:17]:[C:18]([C:19]([C:20]([O:21][H:38])([H:39])[H:40])([H:41])[H:42]):[C:22]:2[C:23]([H:43])([H:44])[H:45])([H:46])[H:47]):[C:24](=[N:25][H:48]):[N:26]:1[H:49])([H:50])([H:51])[H:52]>>[C:1]([C:2]1:[C:3]([H:27]):[C:4]([H:28]):[C:5]([N:6]([C:14]([C:13]2:[C:12]([H:36]):[N:11]:[C:10]([C:9]([H:50])([H:51])[H:52]):[N:26]([H:49]):[C:24]:2=[N:25][H:48])([H:46])[H:47])[H:29]):[C:7]([H:31]):[C:8]:1[H:32])([H:33])([H:34])[H:35].[HH].[N:15]1:[C:16]([H:37]):[S:17]:[C:18]([C:19]([C:20]([O:21][H:38])([H:39])[H:40])([H:41])[H:42]):[C:22]:1[C:23]([H:43])([H:44])[H:45]