SMIRKS
[H][C:35]1([N:36]([H:68])[H:69])[C:33]([C:34]([H:64])([H:65])[H:66])([H:67])[O:32][C:6]([O:7][P:8](=[O:9])([O:10][H:50])[O:11][P:12](=[O:13])([O:14][H:51])[O:15][C:16]([C@@:17]2([H:52])[O:18][C@:19]([N:20]3:[C:21]([H:53]):[C:22]([H:54]):[C:23](=[O:24]):[N:25]([H:55]):[C:26]:3=[O:27])([H:56])[C@@:28]([O:29][H:57])([H:58])[C@@:30]2([O:31][H:59])[H:60])([H:61])[H:62])([H:63])[C:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:49])[C:37]1([O:38][H:71])[H:72]>>O=[C:35]1[C:33]([C:34]([H:64])([H:65])[H:66])([H:67])[O:32][C:6]([O:7][P:8](=[O:9])([O:10][H:50])[O:11][P:12](=[O:13])([O:14][H:51])[O:15][C:16]([C@@:17]2([H:52])[O:18][C@:19]([N:20]3:[C:21]([H:53]):[C:22]([H:54]):[C:23](=[O:24]):[N:25]([H:55]):[C:26]:3=[O:27])([H:56])[C@@:28]([O:29][H:57])([H:58])[C@@:30]2([O:31][H:59])[H:60])([H:61])[H:62])([H:63])[C:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:49])[C:37]1([O:38][H:71])[H:72].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:36]([H:68])[H:69]
Derived Operators
EVODEX.1-F60 - Elemental Balance
| O | 5 |
| C | 5 |
| H | 6 |
EVODEX.1-M58 - Mass Difference
146.02147999999997
EVODEX.1-E596 - Reaction Operator E
[#7:40](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H:70])-[H:71]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8].[#7:40](-[#6@@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H:70])-[H:71]
EVODEX.1-C65 - Reaction Operator C
[H]-[#6@@:39]-[#7:40]>>[#8]=[#6:39].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40]
EVODEX.1-N51 - Reaction Operator N
[H]-[#6@@:39](-[#7:40](-[H:70])-[H:71])(-[#6@:5])-[#6@:37]>>[#8]=[#6:39](-[#6@:5])-[#6@:37].[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#8]-[H])-[#7:40](-[H:70])-[H:71]
EVODEX.1-Em110 - Reaction Operator Em
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
EVODEX.1-Nm13 - Reaction Operator Nm
[H]-[#6:39](-[#7:40])(-[#6:5])-[#6:37]>>[#8]=[#6:39](-[#6:5])-[#6:37].[#6]-[#6](-[H])(-[#6])-[#7:40]
Source Full Reactions
EVODEX.1-R3659
[H][C:35]1([N:36]([H:68])[H:69])[C:33]([C:34]([H:64])([H:65])[H:66])([H:67])[O:32][C:6]([O:7][P:8](=[O:9])([O:10][H:50])[O:11][P:12](=[O:13])([O:14][H:51])[O:15][C:16]([C@@:17]2([H:52])[O:18][C@:19]([N:20]3:[C:21]([H:53]):[C:22]([H:54]):[C:23](=[O:24]):[N:25]([H:55]):[C:26]:3=[O:27])([H:56])[C@@:28]([O:29][H:57])([H:58])[C@@:30]2([O:31][H:59])[H:60])([H:61])[H:62])([H:63])[C:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:49])[C:37]1([O:38][H:71])[H:72].[O:39]=[C:40]([O:41][H:77])[C:42]([C:43]([C:44](=[O:45])[C:46](=[O:47])[O:48][H:78])([H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2](=[O:3])[N:4]([C:5]1([H:49])[C:6]([O:7][P:8](=[O:9])([O:10][H:50])[O:11][P:12](=[O:13])([O:14][H:51])[O:15][C:16]([C@@:17]2([H:52])[O:18][C@:19]([N:20]3:[C:21]([H:53]):[C:22]([H:54]):[C:23](=[O:24]):[N:25]([H:55]):[C:26]:3=[O:27])([H:56])[C@@:28]([O:29][H:57])([H:58])[C@@:30]2([O:31][H:59])[H:60])([H:61])[H:62])([H:63])[O:32][C:33]([C:34]([H:64])([H:65])[H:66])([H:67])[C:35](=[O:45])[C:37]1([O:38][H:71])[H:72])[H:73])([H:74])([H:75])[H:76].[H][C@:44]([N:36]([H:68])[H:69])([C:43]([C:42]([C:40](=[O:39])[O:41][H:77])([H:81])[H:82])([H:79])[H:80])[C:46](=[O:47])[O:48][H:78]