SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[C:32]([C:31]([C:30]([C@:29]([N:28]([C:26]([C:25]([C:24]([C@:23]([N:22]([C:20]([C:19]1:[C:18]([H:61]):[C:17]([H:60]):[C:16]([N:2]([C:1]([H:87])([H:88])[H:89])[C:3]([C:4]2:[C:5]([H:53]):[N:6]:[C:7]3:[N:8]:[C:9](=[N:10][H:54]):[N:11]([H:55]):[C:12]([N:13]([H:56])[H:57]):[C:14]:3:[N:15]:2)([H:58])[H:59]):[C:51]([H:86]):[C:50]:1[H:85])=[O:21])[H:84])([C:47](=[O:48])[O:49][H:82])[H:83])([H:80])[H:81])([H:78])[H:79])=[O:27])[H:77])([C:44](=[O:45])[O:46][H:75])[H:76])([H:73])[H:74])([H:71])[H:72])=[O:33])C([H])([H])C([H])([H])C(=O)N([H])[H].[H][O:52][H:90]>>[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:53]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:54]):[N:11]([H:55]):[C:12]([N:13]([H:56])[H:57]):[C:14]:2:[N:15]:1)([H:58])[H:59])[C:16]1:[C:17]([H:60]):[C:18]([H:61]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32](=[O:33])[O:52][H:90])([H:71])[H:72])([H:73])[H:74])([C:44](=[O:45])[O:46][H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([C:47](=[O:48])[O:49][H:82])[H:83])[H:84]):[C:50]([H:85]):[C:51]:1[H:86])([H:87])([H:88])[H:89]
Derived Operators
EVODEX.1-F376 - Elemental Balance
| O | -3 |
| C | -5 |
| N | -2 |
| H | -10 |
EVODEX.1-M153 - Mass Difference
-146.06920000000002
EVODEX.1-E1168 - Reaction Operator E
[#7](-[#6](=[#8])-[#6](-[#6](-[#6@](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H].[#8:23](-[H:40])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:23]-[H:40]
EVODEX.1-C1423 - Reaction Operator C
([H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:32])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[#6@:29].[#6@:23]).[H]-[#8:52]>>([#6:32]-[#8:52].[#6@@:23].[#6@@:29])
EVODEX.1-N1810 - Reaction Operator N
([H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:32](-[#6:31]-[#6:30]-[#6@:29](-[#7:28])(-[#6:44])-[H:76])=[#8:33])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[H].[#6:24]-[#6@:23](-[#7:22])(-[#6:47])-[H:83]).[H]-[#8:52]-[H:90]>>([#7:22]-[#6@@:23](-[#6:24])(-[#6:47])-[H:83].[#7:28]-[#6@@:29](-[#6:30]-[#6:31]-[#6:32](=[#8:33])-[#8:52]-[H:90])(-[#6:44])-[H:76])
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5765
[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:53]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:54]):[N:11]([H:55]):[C:12]([N:13]([H:56])[H:57]):[C:14]:2:[N:15]:1)([H:58])[H:59])[C:16]1:[C:17]([H:60]):[C:18]([H:61]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32](=[O:33])[N:34]([C@@:35]([C:36]([C:37]([C:38]([N:39]([H:62])[H:63])=[O:40])([H:64])[H:65])([H:66])[H:67])([C:41](=[O:42])[O:43][H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([C:44](=[O:45])[O:46][H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([C:47](=[O:48])[O:49][H:82])[H:83])[H:84]):[C:50]([H:85]):[C:51]:1[H:86])([H:87])([H:88])[H:89].[H][O:52][H:90]>>[C:1]([N:2]([C:3]([C:4]1:[C:5]([H:53]):[N:6]:[C:7]2:[N:8]:[C:9](=[N:10][H:54]):[N:11]([H:55]):[C:12]([N:13]([H:56])[H:57]):[C:14]:2:[N:15]:1)([H:58])[H:59])[C:16]1:[C:17]([H:60]):[C:18]([H:61]):[C:19]([C:20](=[O:21])[N:22]([C@@:23]([C:24]([C:25]([C:26](=[O:27])[N:28]([C@@:29]([C:30]([C:31]([C:32](=[O:33])[O:52][H:90])([H:71])[H:72])([H:73])[H:74])([C:44](=[O:45])[O:46][H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([C:47](=[O:48])[O:49][H:82])[H:83])[H:84]):[C:50]([H:85]):[C:51]:1[H:86])([H:87])([H:88])[H:89].[H][N:34]([C@@:35]([C:36]([C:37]([C:38]([N:39]([H:62])[H:63])=[O:40])([H:64])[H:65])([H:66])[H:67])([C:41](=[O:42])[O:43][H:68])[H:69])[H:70]