EVODEX.1-P7142 - Partial Reaction

SMIRKS

[H][N:12]([C@:13]([C:14]([C:15]1:[C:16]([H:54]):[N:17]:[C:18]([H:55]):[N:19]:1[H:56])([H:57])[H:58])([C:20](=[O:21])[O:22][H:59])[H:60])[H:61]>>[H]C1:N:C([H]):N([H]):C:1C([H])([H])[C@]([H])(C(=O)[N:12]([C@:13]([C:14]([C:15]1:[C:16]([H:54]):[N:17]:[C:18]([H:55]):[N:19]:1[H:56])([H:57])[H:58])([C:20](=[O:21])[O:22][H:59])[H:60])[H:61])N([H])[H]

Derived Operators

EVODEX.1-F32 - Elemental Balance

O	1
C	6
N	3
H	7

EVODEX.1-M97 - Mass Difference

137.05901

EVODEX.1-E477 - Reaction Operator E

[#7:12](-[#6@@:13])(-[H:64])-[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]

EVODEX.1-C821 - Reaction Operator C

[H]-[#7:12]>>[H]-[#6]1:[#7]:[#6](-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:12])-[#7](-[H])-[H]):[#6](-[H]):[#7]:1-[H]

EVODEX.1-N1032 - Reaction Operator N

[H]-[#7:12](-[#6@@:13])-[H:64]>>[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]

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-R7725

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