Methanol → 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid

반응식

[C:1](#[N:2])[c:3]1[c:4](-[c:30]2[c:31]([F:37])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:5][n:6][n:7]1[C:8](=[O:9])[N:10]([CH:11]([CH3:12])[CH3:13])[c:14]1[cH:15][c:16]([C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29]1.[CH3:40][OH:41].[H:38][H:39]>>[C:1](#[N:2])[c:3]1[c:4](-[c:30]2[c:31]([F:37])[cH:32][cH:33][cH:34][c:35]2[F:36])[n:5][n:6][n:7]1[C:8](=[O:9])[N:10]([CH:11]([CH3:12])[CH3:13])[c:14]1[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:27][cH:28][cH:29]1

참가 물질

반응물 3

HCID 887Methanol

HCID 58501889Benzyl 3-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoate

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 545887653-(5-cyano-4-(2,6-difluorophenyl)-N-isopropyl-1H-1,2,3-triazole-1-carboxamido)benzoic acid

출처 및 근거

ORD 기록: ord-844629067b88493f9c7cfd4d0ae73c49
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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