Acetonitrile → HCID 178487246, compound

HRID 1128633Notes

Reaction equation

HRID 1128633 reaction equation
[C:25]([O:26][CH2:27][CH2:28][O:29][P:30](=[O:31])([O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)([O:48][c:50]1[cH:51][cH:52][c:53]([N+:54]([O-:55])=[O:56])[cH:57][cH:58]1)=[O:49].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:24]1)[CH:8]([NH2:23])[CH2:9][CH2:10][c:11]1[c:12]-2[c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]1.[CH3:59][C:60]#[N:61]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:24]1)[CH:8]([NH:23][C:25]([O:26][CH2:27][CH2:28][O:29][P:30](=[O:31])([O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:48])[CH2:9][CH2:10][c:11]1[c:12]-2[c:13]([O:21][CH3:22])[c:14]([O:19][CH3:20])[c:15]([O:17][CH3:18])[cH:16]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 411019Dibenz[b,d]cycloheptane, 9-amino-2,3,4,7-tetramethoxy-HCID 213066252-[Di(benzyloxy)phosphoryloxy]ethyl 4-nitrophenyl carbonate

Product 1

HCID 178487246HCID 178487246, compound

Sources & evidence

ORD record
ord-46adc530faa64d1fb09879e229dc7930
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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