Hydrochloric Acid → N-[2-({2-[3-(4-cyano-3-fluoro-benzyl)-3H-imidazol-4-yl]-ethylamino}-methyl)-phenyl]-3-hydroxy-benzamide

HRID 124919Notes

Reaction equation

HRID 124919 reaction equation
[CH3:39][OH:40].[CH:21](=[O:22])[c:23]1[c:24]([NH:29][C:30]([c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]2)=[O:38])[cH:25][cH:26][cH:27][cH:28]1.[ClH:1].[ClH:2].[NH2:3][CH2:4][CH2:5][c:6]1[cH:7][n:8][cH:9][n:10]1[CH2:11][c:12]1[cH:13][c:14]([F:20])[c:15]([C:16]#[N:17])[cH:18][cH:19]1>>[NH:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][cH:9][n:10]1[CH2:11][c:12]1[cH:13][c:14]([F:20])[c:15]([C:16]#[N:17])[cH:18][cH:19]1)[CH2:21][c:23]1[c:24]([NH:29][C:30]([c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]2)=[O:38])[cH:25][cH:26][cH:27][cH:28]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 22627093N-(2-formyl-phenyl)-3-hydroxy-benzamideHCID 226271064-[[5-(2-Aminoethyl)imidazol-1-yl]methyl]-2-fluorobenzonitrile

Product 1

HCID 22627116N-[2-({2-[3-(4-cyano-3-fluoro-benzyl)-3H-imidazol-4-yl]-ethylamino}-methyl)-phenyl]-3-hydroxy-benzamide

Sources & evidence

ORD record
ord-9634fd20f5b5453cb5f423173c599f30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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