EVODEX.1-P925 - Partial Reaction

SMIRKS

[C:1]([Se:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62]>>[H]N([H])[C@@:5]([H])([C:4]([C:3]([Se:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])[C:7](=[O:8])[O:9][H:55].[H][O:6][H]

Derived Operators

EVODEX.1-F190 - Elemental Balance

N	1
H	5

EVODEX.1-M70 - Mass Difference

19.04225

EVODEX.1-C58 - Reaction Operator C

[#8:2]=[#6:3]>>[H]-[#7](-[H])-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-N36 - Reaction Operator N

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6@:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Em329 - Reaction Operator Em

[#8:2]=[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3]=[#8:2])-[#6:7].[H]-[#8:6]-[H]

EVODEX.1-Cm95 - Reaction Operator Cm

[#8:2]=[#6:3]>>[#7]-[#6:3]-[H].[H]-[#8:2]-[H]

EVODEX.1-Nm108 - Reaction Operator Nm

[#6:3]-[#6:5](=[#8:6])-[#6:7]>>[H]-[#7](-[H])-[#6:5](-[H])(-[#6:3])-[#6:7].[H]-[#8:6]-[H]

Source Full Reactions

EVODEX.1-R906

[C:1]([Se:2][C:3]([C:4]([C:5](=[O:6])[C:7](=[O:8])[O:9][H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62].[HH].[H][C:54]1([H:88])[C:14]([C:12]([N:11]([H:90])[H:91])=[O:13])=[C:15]([H:63])[N:16]([C@:17]2([H:64])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]3([H:67])[O:32][C@:33]([N:34]4:[C:35]([H:68]):[N:36]:[C:37]5:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:4:5)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]3([O:47][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:48]([O:49][H:82])([H:83])[C@:50]2([O:51][H:84])[H:85])[C:52]([H:86])=[C:53]1[H:87].[H][N:10]([H:92])[H:93]>>[H][C@:5]([C:4]([C:3]([Se:2][C:1]([H:60])([H:61])[H:62])([H:58])[H:59])([H:56])[H:57])([C:7](=[O:8])[O:9][H:55])[N:10]([H:92])[H:93].[N:11]([C:12](=[O:13])[C:14]1:[C:15]([H:63]):[N+:16]([C@:17]2([H:64])[O:18][C@@:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:65])[O:25][P:26](=[O:27])([O:28][H:66])[O:29][C:30]([C@@:31]3([H:67])[O:32][C@:33]([N:34]4:[C:35]([H:68]):[N:36]:[C:37]5:[C:38]([N:39]([H:69])[H:70]):[N:40]:[C:41]([H:71]):[N:42]:[C:43]:4:5)([H:72])[C@@:44]([O:45][H:73])([H:74])[C@@:46]3([O:47][H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[C@:48]([O:49][H:82])([H:83])[C@:50]2([O:51][H:84])[H:85]):[C:52]([H:86]):[C:53]([H:87]):[C:54]:1[H:88])([H:90])[H:91].[H][O:6][H]