Hydrochloric Acid → Hydrochloric Acid

HRID 285007Notes

Reaction equation

HRID 285007 reaction equation
[CH2:1]([O:2][C:4]([CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)=[NH:13])[CH3:3].[CH:15]1([C:20]([C:21](=[O:22])[N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[OH:35])[CH2:16][CH2:17][CH2:18][CH2:19]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[ClH:14].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[C:4]([CH2:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)(=[NH:13])[N:26]1[CH2:25][CH2:24][N:23]([C:21]([C:20]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[OH:35])=[O:22])[CH2:28][CH2:27]1.[ClH:14]

Participants

7

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 103522353-Phenylpropionimidic acid ethyl esterHCID 672423372-Cyclopentyl-2-hydroxy-2-phenyl-1-piperazin-1-ylethanone

Product 2

HCID 313Hydrochloric AcidHCID 748303012-Cyclopentyl-2-hydroxy-2-phenyl-1-[4-(3-phenylpropanimidoyl)piperazin-1-yl]ethanone

Sources & evidence

ORD record
ord-4381b1d0499d41d18b31209d55c7aef2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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