Benzene → 4-Chloro-N-(4-chloropyrimidin-5-yl)-3-cyanobenzamide

HRID 2148193Notes

Reaction equation

HRID 2148193 reaction equation
[CH:39]([Cl:40])([Cl:41])[Cl:42].[Cl-:31].[Cl:1][c:2]1[c:3]([C:11]#[N:12])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[Cl:43][CH2:44][Cl:45].[NH2:17][c:18]1[c:19]([Cl:24])[n:20][cH:21][n:22][cH:23]1.[OH2:38].[S:13]([Cl:14])([Cl:15])=[O:16].[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1.[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[c:3]([C:11]#[N:12])[cH:4][c:5]([C:6](=[O:8])[NH:17][c:18]2[c:19]([Cl:24])[n:20][cH:21][n:22][cH:23]2)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 241BenzeneHCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 6212ChloroformHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 134045414-Chloropyrimidin-5-amineHCID 226446124-Chloro-3-cyanobenzoic acid

Product 1

HCID 714261974-Chloro-N-(4-chloropyrimidin-5-yl)-3-cyanobenzamide

Sources & evidence

ORD record
ord-bac75c63dccb49ec97cd68f526f33afb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…