Chloride → HCID 20332972, compound

HRID 2132816Notes

Reaction equation

HRID 2132816 reaction equation
[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl-:29].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[n:14][c:15]([C:22](=[O:23])[NH2:24])[n:16][c:17]3[CH2:18][N:19]([CH3:20])[CH3:21])[cH:8][cH:9][c:10]([Cl:12])[cH:11]2)[cH:25][cH:26][cH:27][cH:28]1.[OH2:41].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7](-[n:13]3[n:14][c:15]([C:22]#[N:24])[n:16][c:17]3[CH2:18][N:19]([CH3:20])[CH3:21])[cH:8][cH:9][c:10]([Cl:12])[cH:11]2)[cH:25][cH:26][cH:27][cH:28]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 962WaterHCID 1049PyridineHCID 6101p-Toluenesulfonic acidHCID 6228DimethylformamideHCID 128317381-[2-(o-chlorobenzoyl)-4-chlorophenyl]-5-[(dimethylamino)-methyl]-1H-1,2,4-triazole-3-carboxamide

Product 1

HCID 20332972HCID 20332972, compound

Sources & evidence

ORD record
ord-48a01703ca214a3fa66d494c284f1b3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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