Benzene → 4-amino-5-chloro-N-[1-[2-[(4-fluorobenzoyl)amino]ethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

HRID 682572

Reaction equation

HRID 682572 reaction equation
[CH3:40][OH:41].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][CH2:10]2)[cH:11][cH:12]1.[NH2:13][c:14]1[cH:15][c:16]([O:32][CH3:33])[c:17]([C:18](=[O:19])[NH:20][CH:21]2[CH:22]([O:27][CH3:28])[CH2:23][NH:24][CH2:25][CH2:26]2)[cH:29][c:30]1[Cl:31].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:10][CH2:9][N:24]2[CH2:23][CH:22]([O:27][CH3:28])[CH:21]([NH:20][C:18]([c:17]3[c:16]([O:32][CH3:33])[cH:15][c:14]([NH2:13])[c:30]([Cl:31])[cH:29]3)=[O:19])[CH2:26][CH2:25]2)[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 887MethanolHCID 848531-(4-Fluorobenzoyl)aziridineHCID 3019427Norcisapride

Product 1

HCID 198834854-amino-5-chloro-N-[1-[2-[(4-fluorobenzoyl)amino]ethyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

Sources & evidence

ORD record
ord-9189a393f9f14825901adf97489b0bf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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