SMIRKS
[H][N:5]([C@@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:51])([H:52])[H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[H]OP(=O)(O[H])O[P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65])(=[O:40])[O:41][H:66]>>[H]C1:N:C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:51])([H:52])[H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54])N([H])[H]):C([H]):N:1[H].[H]O[P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65])(=[O:40])[O:41][H:66]
Derived Operators
EVODEX.1-F556 - Elemental Balance
| P | -1 |
| O | -2 |
| C | 6 |
| N | 3 |
| H | 6 |
EVODEX.1-M173 - Mass Difference
57.092679999999994
EVODEX.1-E1378 - Reaction Operator E
[#7:12](-[#6@@:13])(-[H:64])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:86])-[#6@:53](-[#6@:34])(-[#8:54])-[H:88])>>[#7](-[#6@@](-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6](-[H]):[#7]:1)(-[H])-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[H])(-[H])-[H].([#8]-[H].[#8:54]-[#6@:53](-[#6@:34])(-[H:88])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:86])
EVODEX.1-C856 - Reaction Operator C
[H]-[#7:12].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].[H]-[#8]
EVODEX.1-N1067 - Reaction Operator N
[H]-[#7:12](-[#6@@:13])-[H:64].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12](-[#6@@:13])-[H:64])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].[H]-[#8]
Source Full Reactions
EVODEX.1-R7861
[H][N:5]([C@@:4]([C:2]([C:1]([H:59])([H:60])[H:61])([C:3]([H:51])([H:52])[H:53])[H:58])([C:6](=[O:7])[O:8][H:56])[H:57])[H:54].[N:20]([C:21]1:[N:22]:[C:23]([H:62]):[N:24]:[C:25]2:[C:26]:1:[N:27]:[C:28]([H:63]):[N:29]:2[C@:30]1([H:64])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:65])[O:38][P:39](=[O:40])([O:41][H:66])[O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68])([H:69])[H:70])([H:71])[C@:47]([O:48][H:72])([H:73])[C@:49]1([O:50][H:74])[H:75])([H:76])[H:77].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])([C:17](=[O:18])[O:19][H:83])[H:84])([H:85])[H:86]>>[C:1]([C:2]([C:3]([H:51])([H:52])[H:53])([C@:4]([N:5]([C:17]([C@@:10]([N:9]([H:85])[H:86])([C:11]([C:12]1:[C:13]([H:78]):[N:14]([H:79]):[C:15]([H:80]):[N:16]:1)([H:81])[H:82])[H:84])=[O:18])[H:54])([C:6](=[O:7])[O:8][H:56])[H:57])[H:58])([H:59])([H:60])[H:61].[O:19]([P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:71])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([H:62]):[N:22]:[C:21]([N:20]([H:76])[H:77]):[C:26]:3:[N:27]:[C:28]:2[H:63])([H:64])[C@@:49]([O:50][H:74])([H:75])[C@@:47]1([O:48][H:72])[H:73])([H:69])[H:70])(=[O:36])[O:37][H:65])(=[O:40])[O:41][H:66])[H:83].[H][O:42][P:43](=[O:44])([O:45][H:67])[O:46][H:68]