Dimethylformamide → 2-Phenyl-pyrimidine-5-carboxylic acid (3-phenyl-[1,2,4]thiadiazol-5-yl)-amide

HRID 142667Notes

Reaction equation

HRID 142667 reaction equation
[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[Cl:39][CH2:40][Cl:41].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[c:1]1(-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:27]1(-[c:33]2[n:34][s:35][c:36]([NH2:38])[n:37]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:15])[NH:38][c:36]3[s:35][n:34][c:33](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[n:37]3)[cH:11][n:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 285611,2,4-Thiadiazol-5-amine, 3-phenyl-HCID 65578Oxalyl chlorideHCID 7473892-Phenylpyrimidine-5-carboxylic acid

Product 1

HCID 598058282-Phenyl-pyrimidine-5-carboxylic acid (3-phenyl-[1,2,4]thiadiazol-5-yl)-amide

Sources & evidence

ORD record
ord-89175754522545ed9b6dcbf1c0c4d342
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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