Methanol → N-[3-chloro-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide

HRID 97032Notes

Reaction equation

HRID 97032 reaction equation
[CH3:35][OH:36].[Cl:17][c:18]1[cH:19][c:20]([NH2:34])[cH:21][cH:22][c:23]1[O:24][CH2:25][CH2:26][N:27]1[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]1.[Cl:1][c:2]1[c:3]([C:12]#[C:13][C:14](=[O:15])[OH:16])[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cl:37][CH2:38][Cl:39]>>[Cl:1][c:2]1[c:3]([C:12]#[C:13][C:14](=[O:16])[NH:34][c:20]2[cH:19][c:18]([Cl:17])[c:23]([O:24][CH2:25][CH2:26][N:27]3[CH2:28][CH2:29][CH:30]([CH3:33])[CH2:31][CH2:32]3)[cH:22][cH:21]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6344DichloromethaneHCID 578921123-Chloro-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenylamineHCID 68817422(2-Chloro-4-trifluoromethylphenyl)propynoic acid

Product 1

HCID 57845873N-[3-chloro-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-ynamide

Sources & evidence

ORD record
ord-7ba52eba9799476bad6bebf0c5d8f364
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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