Dimethylformamide → 1-(2-tert-pentyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-5-ylsulfonyl)-1H-pyrazole-4-carboxylic acid

반응식

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

참가 물질

반응물 2

HCID 6228Dimethylformamide

HCID 579373411-{[2-(1,1-dimethylpropyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrazole-4-carbaldehyde

생성물 1

HCID 579373031-(2-tert-pentyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-5-ylsulfonyl)-1H-pyrazole-4-carboxylic acid

출처 및 근거

ORD 기록: ord-d2268c779f2c443897f5bf17cfa4c59e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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