SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])[O:9][P:6]([O:5][C@@:4]1([H:63])[O:3][C@:2]([C:1]([H:70])([H:71])[H:72])([H:48])[C@:37]([O:38][H:68])([H:69])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])(=[O:7])[O:8][H:49]>>[H][O:9][P:6]([O:5][C@@:4]1([H:63])[O:3][C@:2]([C:1]([H:70])([H:71])[H:72])([H:48])[C@:37]([O:38][H:68])([H:69])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])(=[O:7])[O:8][H:49]
Derived Operators
EVODEX.1-F217 - Elemental Balance
| P | -1 |
| O | -7 |
| C | -10 |
| N | -5 |
| H | -12 |
EVODEX.1-M132 - Mass Difference
-345.0475599999999
EVODEX.1-E925 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:17]-[#15:18])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H]>>[#8:17](-[#15:18])-[H]
EVODEX.1-C476 - Reaction Operator C
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]
EVODEX.1-N580 - Reaction Operator N
[H]-[#7]=[#6]1:[#7](-[H]):[#6](=[#8]):[#6]2:[#7]:[#6](-[H]):[#7](-[#6@]3(-[H])-[#8]-[#6@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8:18]-[#15:19])-[#6@@](-[H])(-[#8]-[H])-[#6@@]-3(-[H])-[#8]-[H]):[#6]:2:[#7]:1-[H]>>[H]-[#8:18]-[#15:19]
EVODEX.1-Em35 - Reaction Operator Em
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
EVODEX.1-Nm37 - Reaction Operator Nm
[#8]-[#15](=[#8])(-[#8])-[#8:50]-[#15:51]>>[H]-[#8:50]-[#15:51]
Source Full Reactions
EVODEX.1-R4409
[C:1]([C@:2]1([H:48])[O:3][C@@:4]([O:5][P:6](=[O:7])([O:8][H:49])[O:9][P:10](=[O:11])([O:12][H:50])[O:13][C:14]([C@@:15]2([H:51])[O:16][C@:17]([N:18]3:[C:19]([H:52]):[N:20]:[C:21]4:[C:22](=[O:23]):[N:24]([H:53]):[C:25]([N:26]([H:54])[H:55]):[N:27]:[C:28]:3:4)([H:56])[C@@:29]([O:30][H:57])([H:58])[C@@:31]2([O:32][H:59])[H:60])([H:61])[H:62])([H:63])[C@:33]([O:34][H:64])([H:65])[C@@:35]([O:36][H:66])([H:67])[C@@:37]1([O:38][H:68])[H:69])([H:70])([H:71])[H:72].[H][O:41][P:40](=[O:39])([O:42][H:74])[O:43][P:44](=[O:45])([O:46][H:75])[O:47][H:76]>>[H][O:9][P:6]([O:5][C@@:4]1([H:63])[O:3][C@:2]([C:1]([H:70])([H:71])[H:72])([H:48])[C@:37]([O:38][H:68])([H:69])[C@:35]([O:36][H:66])([H:67])[C@@:33]1([O:34][H:64])[H:65])(=[O:7])[O:8][H:49].[P:10](=[O:11])([O:12][H:50])([O:13][C:14]([C@@:15]1([H:51])[O:16][C@:17]([N:18]2:[C:19]([H:52]):[N:20]:[C:21]3:[C:22](=[O:23]):[N:24]([H:53]):[C:25]([N:26]([H:54])[H:55]):[N:27]:[C:28]:2:3)([H:56])[C@@:29]([O:30][H:57])([H:58])[C@@:31]1([O:32][H:59])[H:60])([H:61])[H:62])[O:41][P:40](=[O:39])([O:42][H:74])[O:43][P:44](=[O:45])([O:46][H:75])[O:47][H:76]