Hydrochloric Acid → Hydrochloric Acid

HRID 283854Notes

Reaction equation

HRID 283854 reaction equation
[CH3:40][OH:41].[Cl:37][CH2:38][Cl:39].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([N:18]3[CH2:19][CH:20]([CH2:24][OH:25])[NH:21][CH2:22][CH2:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[F:26][c:27]1[cH:28][cH:29][c:30]([N:33]=[C:34]=[O:35])[cH:31][cH:32]1>>[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([N:18]3[CH2:19][CH:20]([CH2:24][OH:25])[N:21]([C:34]([NH:33][c:30]4[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]4)=[O:35])[CH2:22][CH2:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 709554-Fluorophenyl isocyanateHCID 67343537[4-[4-(4-Fluorophenyl)phthalazin-1-yl]piperazin-2-yl]methanol

Product 2

HCID 313Hydrochloric AcidHCID 67345412N-(4-fluorophenyl)-4-[4-(4-fluorophenyl)phthalazin-1-yl]-2-(hydroxymethyl)piperazine-1-carboxamide

Sources & evidence

ORD record
ord-1158379235a04e5aa0db54933d06377c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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