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:41])([H:42])[C:14]([H:43])([H:44])[C:15]([H:45])([H:46])[C@:16]1([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([C:24]([N:25]([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([C:26](=[O:27])[N:28]1[C:29]([H:57])([H:58])[C:30]([H:59])([H:60])[C:31]([H:61])([H:62])[C@:32]1([C:33](=[O:34])[O:35][H:63])[H:64])[H:65])[H:66])[H:67])N([H])[H]>>[H][N:12]1[C:13]([H:41])([H:42])[C:14]([H:43])([H:44])[C:15]([H:45])([H:46])[C@:16]1([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([C:24]([N:25]([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([C:26](=[O:27])[N:28]1[C:29]([H:57])([H:58])[C:30]([H:59])([H:60])[C:31]([H:61])([H:62])[C@:32]1([C:33](=[O:34])[O:35][H:63])[H:64])[H:65])[H:66])[H:67]
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-R5497
[N:1](=[C:2]([N:3]([H:37])[H:38])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:39])[H:40])([C:10](=[O:11])[N:12]1[C:13]([H:41])([H:42])[C:14]([H:43])([H:44])[C:15]([H:45])([H:46])[C@:16]1([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([C:24]([N:25]([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([C:26](=[O:27])[N:28]1[C:29]([H:57])([H:58])[C:30]([H:59])([H:60])[C:31]([H:61])([H:62])[C@:32]1([C:33](=[O:34])[O:35][H:63])[H:64])[H:65])[H:66])[H:67])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76].[H][O:36][H:77]>>[H][N:12]1[C:13]([H:41])([H:42])[C:14]([H:43])([H:44])[C:15]([H:45])([H:46])[C@:16]1([C:17](=[O:18])[N:19]([C@@:20]([C:21]([C:22]([C:23]([C:24]([N:25]([H:47])[H:48])([H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([C:26](=[O:27])[N:28]1[C:29]([H:57])([H:58])[C:30]([H:59])([H:60])[C:31]([H:61])([H:62])[C@:32]1([C:33](=[O:34])[O:35][H:63])[H:64])[H:65])[H:66])[H:67].[N:1](=[C:2]([N:3]([H:37])[H:38])[N:4]([C:5]([C:6]([C:7]([C@:8]([N:9]([H:39])[H:40])([C:10](=[O:11])[O:36][H:77])[H:68])([H:69])[H:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]