SMIRKS
[N:4](=[C:5]([N:6]([H:41])[H:42])[N:7]([C:8]([C:9]([C:10]([C@:11]([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])[H:48])([C:21](=[O:22])[N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:49])[H:50])=[O:34])([H:51])[H:52])([H:53])[H:54])([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:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]>>[H]C([H])([H])C([H])([H])O[C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:76])[N:6]([H:41])[H:42])[H:75])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])[H:48])[H:68])=[O:22].[H][N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:49])[H:50])=[O:34])([H:51])[H:52])([H:53])[H:54])([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]
Derived Operators
EVODEX.1-F67 - Elemental Balance
| O | 1 |
| C | 2 |
| H | 6 |
EVODEX.1-M215 - Mass Difference
46.04188
EVODEX.1-E613 - Reaction Operator E
[#6:15]-[#7:16](-[#6:17](=[#8:18])-[#6@:19])-[H:59]>>[#6](-[#6](-[#8]-[#6:17](=[#8:18])-[#6@:19])(-[H])-[H])(-[H])(-[H])-[H].[#6:15]-[#7:16](-[H:59])-[H]
EVODEX.1-C912 - Reaction Operator C
[#7:11]-[#6:12]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:12].[H]-[#7:11]
EVODEX.1-N1143 - Reaction Operator N
[#6:10]-[#7:11](-[#6:12](=[#8:13])-[#6@:14])-[H:54]>>[H]-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#6:12](=[#8:13])-[#6@:14].[H]-[#7:11](-[#6:10])-[H:54]
EVODEX.1-Em70 - Reaction Operator Em
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
EVODEX.1-Nm84 - Reaction Operator Nm
[#8:3]=[#6:4](-[#6:5])-[#7:12]-[#6:13]>>[#6]-[#8]-[#6:4](=[#8:3])-[#6:5].[H]-[#7:12]-[#6:13]
Source Full Reactions
EVODEX.1-R6036
[H][O:3][C:2]([C:1]([H:38])([H:39])[H:40])([H:36])[H:37].[N:4](=[C:5]([N:6]([H:41])[H:42])[N:7]([C:8]([C:9]([C:10]([C@:11]([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])[H:48])([C:21](=[O:22])[N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:49])[H:50])=[O:34])([H:51])[H:52])([H:53])[H:54])([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:70])([H:71])[H:72])([H:73])[H:74])[H:75])[H:76]>>[C:1]([C:2]([O:3][C:21]([C@:11]([C:10]([C:9]([C:8]([N:7]([C:5](=[N:4][H:76])[N:6]([H:41])[H:42])[H:75])([H:73])[H:74])([H:71])[H:72])([H:69])[H:70])([N:12]([C:13](=[O:14])[C:15]1:[C:16]([H:43]):[C:17]([H:44]):[C:18]([H:45]):[C:19]([H:46]):[C:20]:1[H:47])[H:48])[H:68])=[O:22])([H:36])[H:37])([H:38])([H:39])[H:40].[H][N:23]([C:24]([C:25]([C:26]([C:27]([C:28]([C:29]([C:30]([C:31]([C:32]([N:33]([H:49])[H:50])=[O:34])([H:51])[H:52])([H:53])[H:54])([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]