Isopropanol → tert-butyl 5-(2-(3-acetoxyphenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

반응식

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

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 198005561,1-Dimethylethyl 5-amino-1H-indazole-1-carboxylate

HCID 593619303-(4-Chloroquinazolin-2-yl)phenyl acetate

생성물 1

HCID 66826370tert-butyl 5-(2-(3-acetoxyphenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate

출처 및 근거

ORD 기록: ord-0dc8853788b64177ae59fd5e0f0beae4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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