SMIRKS
[H][C@@:39]1([N:40]([H:70])[H:71])[C@:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]1([O:38][H:68])[H:69]>>O=[C:39]1[C@:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]1([O:38][H:68])[H:69].[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)O[H])[N:40]([H:70])[H:71]
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-R3858
[H][C@@:39]1([N:40]([H:70])[H:71])[C@:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]1([O:38][H:68])[H:69].[O:41]=[C:42]([O:43][H:77])[C:44]([C:45]([C:46](=[O:47])[C:48](=[O:49])[O:50][H:78])([H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]([O:38][H:68])([H:69])[C:39]1=[O:47])[H:73])([H:74])([H:75])[H:76].[H][C@:46]([N:40]([H:70])[H:71])([C:45]([C:44]([C:42](=[O:41])[O:43][H:77])([H:81])[H:82])([H:79])[H:80])[C:48](=[O:49])[O:50][H:78]