Hydrochloric Acid → Hydrochloric Acid

HRID 2344039Notes

Reaction equation

HRID 2344039 reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:50][CH2:51][Cl:52].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([c:19]3[n:20][cH:21][c:22]([F:25])[cH:23][n:24]3)[CH2:17][CH2:18]2)[OH:26])[cH:7][cH:8]1.[F:34][c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[Cl:41])[cH:42][cH:43]1>>[ClH:41].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([c:19]3[n:20][cH:21][c:22]([F:25])[cH:23][n:24]3)[CH2:17][CH2:18]2)[O:26][C:39]([c:38]2[cH:37][cH:36][c:35]([F:34])[cH:43][cH:42]2)=[O:40])[cH:7][cH:8]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 678794-Fluorobenzoyl chlorideHCID 108046alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazinebutanol

Product 2

HCID 313Hydrochloric AcidHCID 15729915HCID 15729915, compound

Sources & evidence

ORD record
ord-a4e9387e39bc4f66a8205364307ea1d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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