Dimethylformamide → N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1-methyl-5-phenyl-1H-pyrazole-4-carboxamide

HRID 211088Notes

Reaction equation

HRID 211088 reaction equation
[CH3:1][n:2]1[n:3][cH:4][c:5]([C:13](=[O:14])[OH:15])[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:16][C:17]([C:18]([Cl:19])=[O:20])=[O:21].[NH2:27][c:28]1[cH:29][c:30]([O:31][c:32]2[c:33]([C:47]#[N:48])[c:34]3[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]4[CH2:43][CH2:44]4)[s:38]3)[cH:45][cH:46]2)[cH:49][cH:50][cH:51]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([C:13](=[O:15])[NH:27][c:28]2[cH:29][c:30]([O:31][c:32]3[c:33]([C:47]#[N:48])[c:34]4[c:35]([n:36][c:37]([NH:39][C:40](=[O:41])[CH:42]5[CH2:43][CH2:44]5)[s:38]4)[cH:45][cH:46]3)[cH:49][cH:50][cH:51]2)[c:6]1-[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 27954741-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acidHCID 86644685N-[6-(3-aminophenoxy)-7-cyano-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Product 1

HCID 59454499N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-1-methyl-5-phenyl-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-03503c3fa4e74848b5ea75090395d547
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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