Dichloromethane → 2-[4-(1-Benzothien-2-ylmethyl)-1-piperazinyl]benzonitrile

HRID 175286

Reaction equation

HRID 175286 reaction equation
[CH3:12][S:13]([O:14][S:15]([CH3:16])(=[O:17])=[O:18])(=[O:19])=[O:20].[Cl:35][CH2:36][Cl:37].[N:21]1([c:27]2[c:28]([C:29]#[N:30])[cH:31][cH:32][cH:33][cH:34]2)[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[s:1]1[c:2]([CH2:10][OH:11])[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([CH2:10][N:24]2[CH2:23][CH2:22][N:21]([c:27]3[c:28]([C:29]#[N:30])[cH:31][cH:32][cH:33][cH:34]3)[CH2:26][CH2:25]2)[cH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

5

Reactant 4

HCID 6344DichloromethaneHCID 81560Methanesulfonic anhydrideHCID 2735875N-(2-Cyanophenyl)piperazineHCID 27763352-(Hydroxymethyl)benzo[b]thiophene

Product 1

HCID 99969482-[4-(1-Benzothien-2-ylmethyl)-1-piperazinyl]benzonitrile

Sources & evidence

ORD record
ord-446eaa973e4b40f9b29b6b1df9b8d455
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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