SMIRKS
[H]N=C(N([H])[H])N([H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:12]1[C:13]([H:39])([H:40])[C:14]([H:41])([H:42])[C:15]([H:43])([H:44])[C@:16]1([C:17](=[O:18])[N:19]1[C:20]([H:45])([H:46])[C:21]([H:47])([H:48])[C:22]([H:49])([H:50])[C@:23]1([C:24](=[O:25])[N:26]([C:27]([C:28]1:[C:29]([H:51]):[C:30]([H:52]):[C:31]([H:53]):[C:32]([H:54]):[C:33]:1[H:55])([H:56])[H:57])[H:58])[H:59])[H:60])N([H])[H]>>[H][N:12]1[C:13]([H:39])([H:40])[C:14]([H:41])([H:42])[C:15]([H:43])([H:44])[C@:16]1([C:17](=[O:18])[N:19]1[C:20]([H:45])([H:46])[C:21]([H:47])([H:48])[C:22]([H:49])([H:50])[C@:23]1([C:24](=[O:25])[N:26]([C:27]([C:28]1:[C:29]([H:51]):[C:30]([H:52]):[C:31]([H:53]):[C:32]([H:54]):[C:33]:1[H:55])([H:56])[H:57])[H:58])[H:59])[H:60]
Derived Operators
EVODEX.1-F468 - Elemental Balance
| O | -1 |
| C | -6 |
| N | -4 |
| H | -12 |
EVODEX.1-M80 - Mass Difference
-156.10126
EVODEX.1-E1280 - Reaction Operator E
[#7](=[#6](-[#7](-[H])-[H])-[#7](-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6:13])-[#6@:16])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H]>>[#7:12](-[H])(-[#6:13])-[#6@:16]
EVODEX.1-C132 - Reaction Operator C
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]>>[H]-[#7:12]
EVODEX.1-N731 - Reaction Operator N
[H]-[#7]=[#6](-[#7](-[H])-[H])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6:13])-[#6@:16])-[#7](-[H])-[H]>>[H]-[#7:12](-[#6:13])-[#6@:16]
EVODEX.1-Em127 - Reaction Operator Em
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
EVODEX.1-Nm161 - Reaction Operator Nm
[#6]-[#6](=[#8])-[#7:5](-[#6:6])-[#6:9]>>[H]-[#7:5](-[#6:6])-[#6:9]
Source Full Reactions
EVODEX.1-R5569
[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:37])[H:38])([C:10](=[O:11])[N:12]1[C:13]([H:39])([H:40])[C:14]([H:41])([H:42])[C:15]([H:43])([H:44])[C@:16]1([C:17](=[O:18])[N:19]1[C:20]([H:45])([H:46])[C:21]([H:47])([H:48])[C:22]([H:49])([H:50])[C@:23]1([C:24](=[O:25])[N:26]([C:27]([C:28]1:[C:29]([H:51]):[C:30]([H:52]):[C:31]([H:53]):[C:32]([H:54]):[C:33]:1[H:55])([H:56])[H:57])[H:58])[H:59])[H:60])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:69].[H][O:34][H:70]>>[H][N:12]1[C:13]([H:39])([H:40])[C:14]([H:41])([H:42])[C:15]([H:43])([H:44])[C@:16]1([C:17](=[O:18])[N:19]1[C:20]([H:45])([H:46])[C:21]([H:47])([H:48])[C:22]([H:49])([H:50])[C@:23]1([C:24](=[O:25])[N:26]([C:27]([C:28]1:[C:29]([H:51]):[C:30]([H:52]):[C:31]([H:53]):[C:32]([H:54]):[C:33]:1[H:55])([H:56])[H:57])[H:58])[H:59])[H:60].[N:1](=[C:2]([N:3]([H:35])[H:36])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:37])[H:38])([C:10](=[O:11])[O:34][H:70])[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])[H:68])[H:69]