SMIRKS
[H]C1:C(N([H])[C:15](=[O:16])[C@:17]2([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]2[C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:53])[H:54])=[O:28])([H:55])[H:56])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]2:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:2[H:61])([H:62])[H:63])[H:64])[H:65]):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:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:53])[H:54])=[O:28])([H:55])[H:56])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])[H:64])[H:65]
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-R5816
[N:1]([C:2](=[O:3])[C:4]([C:5]1:[C:6]([H:43]):[C:7](=[O:8]):[O:9]:[C:10]2:[C:11]([H:44]):[C:12]([H:45]):[C:13]([N:14]([C:15](=[O:16])[C@:17]3([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]3[C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:53])[H:54])=[O:28])([H:55])[H:56])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]3:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:3[H:61])([H:62])[H:63])[H:64])[H:65])[H:66]):[C:40]([H:67]):[C:41]:1:2)([H:68])[H:69])([H:70])[H:71].[H][O:42][H:72]>>[C:15](=[O:16])([C@:17]1([H:46])[C:18]([H:47])([H:48])[C:19]([H:49])([H:50])[C:20]([H:51])([H:52])[N:21]1[C:22](=[O:23])[C@:24]([C:25]([C:26]([N:27]([H:53])[H:54])=[O:28])([H:55])[H:56])([N:29]([C:30](=[O:31])[O:32][C:33]([C:34]1:[C:35]([H:57]):[C:36]([H:58]):[C:37]([H:59]):[C:38]([H:60]):[C:39]:1[H:61])([H:62])[H:63])[H:64])[H:65])[O:42][H:72].[H][N:14]([C:13]1:[C:12]([H:45]):[C:11]([H:44]):[C:10]2:[O:9]:[C:7](=[O:8]):[C:6]([H:43]):[C:5]([C:4]([C:2]([N:1]([H:70])[H:71])=[O:3])([H:68])[H:69]):[C:41]:2:[C:40]:1[H:67])[H:66]