SMIRKS
[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:67])[H:68])=[O:3])([H:65])[H:66])([C:7](=[O:8])[O:9][H:63])[H:64])[H:61].[H]OP(=O)(O[H])O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:78])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:69]):[N:23]:[C:22]([N:21]([H:83])[H:84]):[C:27]:3:[N:28]:[C:29]:2[H:70])([H:71])[C@@:50]([O:51][H:81])([H:82])[C@@:48]1([O:49][H:79])[H:80])([H:76])[H:77])(=[O:37])[O:38][H:72])(=[O:41])[O:42][H:73]>>[H]C1:N:C(C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([N:1]([H:67])[H:68])=[O:3])([H:65])[H:66])([C:7](=[O:8])[O:9][H:63])[H:64])[H:61])N([H])[H]):C([H]):N:1[H].[H]O[P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:78])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:69]):[N:23]:[C:22]([N:21]([H:83])[H:84]):[C:27]:3:[N:28]:[C:29]:2[H:70])([H:71])[C@@:50]([O:51][H:81])([H:82])[C@@:48]1([O:49][H:79])[H:80])([H:76])[H:77])(=[O:37])[O:38][H:72])(=[O:41])[O:42][H:73]
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-R7857
[N:10]([C@@:11]([C:12]([C:13]1:[C:14]([H:52]):[N:15]([H:53]):[C:16]([H:54]):[N:17]:1)([H:55])[H:56])([C:18](=[O:19])[O:20][H:57])[H:58])([H:59])[H:60].[H][N:6]([C@@:5]([C:4]([C:2]([N:1]([H:67])[H:68])=[O:3])([H:65])[H:66])([C:7](=[O:8])[O:9][H:63])[H:64])[H:61].[N:21]([C:22]1:[N:23]:[C:24]([H:69]):[N:25]:[C:26]2:[C:27]:1:[N:28]:[C:29]([H:70]):[N:30]:2[C@:31]1([H:71])[O:32][C@@:33]([C:34]([O:35][P:36](=[O:37])([O:38][H:72])[O:39][P:40](=[O:41])([O:42][H:73])[O:43][P:44](=[O:45])([O:46][H:74])[O:47][H:75])([H:76])[H:77])([H:78])[C@:48]([O:49][H:79])([H:80])[C@:50]1([O:51][H:81])[H:82])([H:83])[H:84]>>[N:1]([C:2](=[O:3])[C:4]([C@:5]([N:6]([C:18]([C@@:11]([N:10]([H:59])[H:60])([C:12]([C:13]1:[C:14]([H:52]):[N:15]([H:53]):[C:16]([H:54]):[N:17]:1)([H:55])[H:56])[H:58])=[O:19])[H:61])([C:7](=[O:8])[O:9][H:63])[H:64])([H:65])[H:66])([H:67])[H:68].[O:20]([P:40]([O:39][P:36]([O:35][C:34]([C@@:33]1([H:78])[O:32][C@:31]([N:30]2:[C:26]3:[N:25]:[C:24]([H:69]):[N:23]:[C:22]([N:21]([H:83])[H:84]):[C:27]:3:[N:28]:[C:29]:2[H:70])([H:71])[C@@:50]([O:51][H:81])([H:82])[C@@:48]1([O:49][H:79])[H:80])([H:76])[H:77])(=[O:37])[O:38][H:72])(=[O:41])[O:42][H:73])[H:57].[H][O:43][P:44](=[O:45])([O:46][H:74])[O:47][H:75]