Dichloromethane → tert-butyl N-[4-chloro-2-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]carbamate

HRID 1121839Notes

Reaction equation

HRID 1121839 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH:16]=[CH:17][C:18](=[O:19])[OH:20])[cH:11][c:12]([Cl:15])[cH:13][cH:14]1.[Cl:36][CH2:37][Cl:38].[F:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][N:27]2[CH2:28][CH:29]([CH3:33])[NH:30][CH2:31][CH2:32]2)[cH:34][cH:35]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH:16]=[CH:17][C:18](=[O:20])[N:30]2[CH:29]([CH3:33])[CH2:28][N:27]([CH2:26][c:25]3[cH:24][cH:23][c:22]([F:21])[cH:35][cH:34]3)[CH2:32][CH2:31]2)[cH:11][c:12]([Cl:15])[cH:13][cH:14]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 107035841-(4-Fluorobenzyl)-3-methylpiperazineHCID 685361723-[5-Chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoic acid

Product 1

HCID 72390833tert-butyl N-[4-chloro-2-[3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]carbamate

Sources & evidence

ORD record
ord-a1bebacd517c4d5095171b0b57d5db2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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