Chloride → Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate

HRID 1569593Notes

Reaction equation

HRID 1569593 reaction equation
[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][NH:16][c:17]3[c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25][cH:26][c:27]3[N+:28]([O-:29])=[O:30])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:35][CH2:36][OH:37].[Cl-:33].[Cl-:34].[OH2:31].[OH2:32]>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][NH:16][c:17]3[c:18]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:24][cH:25][cH:26][c:27]3[NH2:28])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1

Participants

5

Reactant 4

HCID 312Chloride2×HCID 702EthanolHCID 962Water2×HCID 12018931Ethyl 2-{[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoate

Product 1

HCID 15654655Ethyl 3-amino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)amino)benzoate

Sources & evidence

ORD record
ord-094169c856c746f1be44a27b028f1c21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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