SMIRKS
[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:50])[C:18]([H:51])([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26]2:[C:27]([H:57]):[C:28]([H:58]):[C:29]([O:30][H:59]):[C:31]([H:60]):[C:32]:2[H:61])([H:62])[H:63])([N:33]([C:34](=[O:35])[O:36][C:37]([C:38]2:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:2[H:68])([H:69])[H:70])[H:71])[H:72]):C([H]):C2:C(C([H])([H])C(=O)N([H])[H]):C([H]):C(=O):O:C:2:C:1[H]>>[H]O[C:15](=[O:16])[C@:17]1([H:50])[C:18]([H:51])([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]1:[C:27]([H:57]):[C:28]([H:58]):[C:29]([O:30][H:59]):[C:31]([H:60]):[C:32]:1[H:61])([H:62])[H:63])([N:33]([C:34](=[O:35])[O:36][C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70])[H:71])[H:72]
Derived Operators
EVODEX.1-F481 - Elemental Balance
| O | -2 |
| C | -11 |
| N | -2 |
| H | -8 |
EVODEX.1-M166 - Mass Difference
-200.05864
EVODEX.1-E1297 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](=[#8]):[#8]:[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[#6:15](=[#8:16])-[#6@:17])-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])(-[H])-[H]>>[#6:15](=[#8:16])(-[#6@:17])-[#8]-[H]
EVODEX.1-C632 - Reaction Operator C
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:15]
EVODEX.1-N787 - Reaction Operator N
[H]-[#6]1:[#6](-[#7](-[H])-[#6:15](=[#8:16])-[#6@:17]):[#6](-[H]):[#6]2:[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H]):[#6](-[H]):[#6](=[#8]):[#8]:[#6]:2:[#6]:1-[H]>>[H]-[#8]-[#6:15](=[#8:16])-[#6@:17]
EVODEX.1-Em3 - Reaction Operator Em
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm3 - Reaction Operator Nm
[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]>>[H]-[#8]-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5823
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:47]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:48]):[C:12]([H:49]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:50])[C:18]([H:51])([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[N:21]3[C:22](=[O:23])[C@:24]([C:25]([C:26]3:[C:27]([H:57]):[C:28]([H:58]):[C:29]([O:30][H:59]):[C:31]([H:60]):[C:32]:3[H:61])([H:62])[H:63])([N:33]([C:34](=[O:35])[O:36][C:37]([C:38]3:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:3[H:68])([H:69])[H:70])[H:71])[H:72])[H:73]):[C:44]([H:74]):[C:45]:1:2)([H:75])[H:76])([H:77])[H:78].[H][O:46][H:79]>>[C:15](=[O:16])([C@:17]1([H:50])[C:18]([H:51])([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]1:[C:27]([H:57]):[C:28]([H:58]):[C:29]([O:30][H:59]):[C:31]([H:60]):[C:32]:1[H:61])([H:62])[H:63])([N:33]([C:34](=[O:35])[O:36][C:37]([C:38]1:[C:39]([H:64]):[C:40]([H:65]):[C:41]([H:66]):[C:42]([H:67]):[C:43]:1[H:68])([H:69])[H:70])[H:71])[H:72])[O:46][H:79].[H][N:14]([C:13]1:[C:12]([H:49]):[C:11]([H:48]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:47]):[C:5]([C:4]([C:2]([N:1]([H:77])[H:78])=[O:3])([H:75])[H:76]):[C:45]:2:[C:44]:1[H:74])[H:73]