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]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])[O:43][P:44](=[O:45])([O:46][H:74])[O:47][H:75]>>[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:43][P:44](=[O:45])([O:46][H:74])[O:47][H:75]
Derived Operators
EVODEX.1-F555 - Elemental Balance
| P | -2 |
| O | -8 |
| C | -4 |
| N | -2 |
| H | -6 |
EVODEX.1-M172 - Mass Difference
-271.95998000000003
EVODEX.1-E1376 - Reaction Operator E
[#7:12](-[#6@@:13])(-[H:64])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:46]-[#15:47])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#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].[#8:46](-[#15:47])-[H]
EVODEX.1-C857 - Reaction Operator C
[H]-[#7:12].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:46]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H].[H]-[#8:46]
EVODEX.1-N1068 - Reaction Operator N
[H]-[#7:12](-[#6@@:13])-[H:64].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:46]-[#15:47]>>[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]-[#8:46]-[#15:47]
EVODEX.1-Em27 - Reaction Operator Em
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
EVODEX.1-Nm27 - Reaction Operator Nm
[H]-[#7:1]-[#6:2].[#8]-[#15](=[#8])(-[#8])-[#8:43]-[#15:44]>>[#6]-[#6](=[#8])-[#7:1]-[#6:2].[H]-[#8:43]-[#15:44]
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]