SMIRKS
[H]C1:C(N([H])[C:24]([C@@:23]2([H:69])[N:19]([C:17]([C@:5]([C@:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([C:4]([H:43])([H:44])[H:45])[H:71])([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]3:[C:12]([H:46]):[C:13]([H:47]):[C:14]([H:48]):[C:15]([H:49]):[C:16]:3[H:50])([H:51])[H:52])[H:53])[H:70])=[O:18])[C:20]([H:54])([H:55])[C:21]([H:56])([H:57])[C:22]2([H:58])[H:59])=[O:25]):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:24]([C@@:23]1([H:69])[N:19]([C:17]([C@:5]([C@:3]([C:2]([C:1]([H:74])([H:75])[H:76])([H:72])[H:73])([C:4]([H:43])([H:44])[H:45])[H:71])([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]2:[C:12]([H:46]):[C:13]([H:47]):[C:14]([H:48]):[C:15]([H:49]):[C:16]:2[H:50])([H:51])[H:52])[H:53])[H:70])=[O:18])[C:20]([H:54])([H:55])[C:21]([H:56])([H:57])[C:22]1([H:58])[H:59])=[O:25]
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-R5820
[C:1]([C:2]([C@:3]([C:4]([H:43])([H:44])[H:45])([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:46]):[C:13]([H:47]):[C:14]([H:48]):[C:15]([H:49]):[C:16]:1[H:50])([H:51])[H:52])[H:53])([C:17](=[O:18])[N:19]1[C:20]([H:54])([H:55])[C:21]([H:56])([H:57])[C:22]([H:58])([H:59])[C@:23]1([C:24](=[O:25])[N:26]([C:27]1:[C:28]([H:60]):[C:29]([H:61]):[C:30]2:[O:31]:[C:32](=[O:33]):[C:34]([H:62]):[C:35]([C:36]([C:37]([N:38]([H:63])[H:64])=[O:39])([H:65])[H:66]):[C:40]:2:[C:41]:1[H:67])[H:68])[H:69])[H:70])[H:71])([H:72])[H:73])([H:74])([H:75])[H:76].[H][O:42][H:77]>>[C:1]([C:2]([C@:3]([C:4]([H:43])([H:44])[H:45])([C@:5]([N:6]([C:7](=[O:8])[O:9][C:10]([C:11]1:[C:12]([H:46]):[C:13]([H:47]):[C:14]([H:48]):[C:15]([H:49]):[C:16]:1[H:50])([H:51])[H:52])[H:53])([C:17](=[O:18])[N:19]1[C:20]([H:54])([H:55])[C:21]([H:56])([H:57])[C:22]([H:58])([H:59])[C@:23]1([C:24](=[O:25])[O:42][H:77])[H:69])[H:70])[H:71])([H:72])[H:73])([H:74])([H:75])[H:76].[H][N:26]([C:27]1:[C:28]([H:60]):[C:29]([H:61]):[C:30]2:[O:31]:[C:32](=[O:33]):[C:34]([H:62]):[C:35]([C:36]([C:37]([N:38]([H:63])[H:64])=[O:39])([H:65])[H:66]):[C:40]:2:[C:41]:1[H:67])[H:68]