EVODEX.1-P7321 - Partial Reaction

SMIRKS

[H][N:5]([C@@:4]([C@@:2]([C:1]([H:61])([H:62])[H:63])([O:3][H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[H]OP(=O)(O[H])O[P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68]>>[H]C1:C([H]):C([H]):C2:C(:C:1[H]):C(C([H])([H])[C@@]([H])(C(=O)[N:5]([C@@:4]([C@@:2]([C:1]([H:61])([H:62])[H:63])([O:3][H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56])N([H])[H]):C([H]):N:2[H].[H]O[P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68]

Derived Operators

EVODEX.1-F578 - Elemental Balance

P	-1
O	-2
C	11
N	2
H	9

EVODEX.1-M545 - Mass Difference

106.11307

EVODEX.1-E1402 - Reaction Operator E

[#7:1](-[#6@@:2])(-[H:59])-[H].([#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:51]-[#6@@:50](-[#6@@:35])(-[H:72])-[#6@:52](-[#6@:33])(-[#8:53])-[H:74])>>[#7:1](-[#6@@:2])(-[#6](-[#6@@](-[#7](-[H])-[H])(-[#6](-[#6]1:[#6](-[H]):[#7](-[H]):[#6]2:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)(-[H])-[H])-[H])=[#8])-[H:59].([#8]-[H].[#8:53]-[#6@:52](-[#6@:33])(-[H:74])-[#6@@:50](-[#6@@:35])(-[#8:51])-[H:72])

EVODEX.1-C849 - Reaction Operator C

[H]-[#7:5].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8]

EVODEX.1-N1060 - Reaction Operator N

[H]-[#7:5](-[#6@@:4])-[H:58].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]>>[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6]2:[#6](:[#6]:1-[H]):[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:58])-[#7](-[H])-[H]):[#6](-[H]):[#7]:2-[H].[H]-[#8]

EVODEX.1-Em4 - Reaction Operator Em

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

EVODEX.1-Cm5 - Reaction Operator Cm

[H]-[#7:6]>>[#6]-[#7:6]

EVODEX.1-Nm4 - Reaction Operator Nm

[H]-[#7:6]-[#6:7]>>[#6]-[#6](=[#8])-[#7:6]-[#6:7]

Source Full Reactions

EVODEX.1-R7813

[H][N:5]([C@@:4]([C@@:2]([C:1]([H:61])([H:62])[H:63])([O:3][H:55])[H:60])([C:6](=[O:7])[O:8][H:58])[H:59])[H:56].[N:24]([C:25]1:[N:26]:[C:27]([H:64]):[N:28]:[C:29]2:[C:30]:1:[N:31]:[C:32]([H:65]):[N:33]:2[C@:34]1([H:66])[O:35][C@@:36]([C:37]([O:38][P:39](=[O:40])([O:41][H:67])[O:42][P:43](=[O:44])([O:45][H:68])[O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70])([H:71])[H:72])([H:73])[C@:51]([O:52][H:74])([H:75])[C@:53]1([O:54][H:76])[H:77])([H:78])[H:79].[N:9]([C@@:10]([C:11]([C:12]1:[C:13]([H:80]):[N:14]([H:81]):[C:15]2:[C:16]([H:82]):[C:17]([H:83]):[C:18]([H:84]):[C:19]([H:85]):[C:20]:1:2)([H:86])[H:87])([C:21](=[O:22])[O:23][H:88])[H:89])([H:90])[H:91]>>[C:1]([C@@:2]([O:3][H:55])([C@:4]([N:5]([C:21]([C@@:10]([N:9]([H:90])[H:91])([C:11]([C:12]1:[C:13]([H:80]):[N:14]([H:81]):[C:15]2:[C:16]([H:82]):[C:17]([H:83]):[C:18]([H:84]):[C:19]([H:85]):[C:20]:1:2)([H:86])[H:87])[H:89])=[O:22])[H:56])([C:6](=[O:7])[O:8][H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[O:23]([P:43]([O:42][P:39]([O:38][C:37]([C@@:36]1([H:73])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:64]):[N:26]:[C:25]([N:24]([H:78])[H:79]):[C:30]:3:[N:31]:[C:32]:2[H:65])([H:66])[C@@:53]([O:54][H:76])([H:77])[C@@:51]1([O:52][H:74])[H:75])([H:71])[H:72])(=[O:40])[O:41][H:67])(=[O:44])[O:45][H:68])[H:88].[H][O:46][P:47](=[O:48])([O:49][H:69])[O:50][H:70]