Dichloromethane → 6-amino-9-(3-aminophenyl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86761988tert-butyl 3-(6-amino-8-oxo-7-(4-phenoxyphenyl)-7H-purin-9(8H)-yl)phenylcarbamate

생성물 1

HCID 866912136-amino-9-(3-aminophenyl)-7-(4-phenoxyphenyl)-7H-purin-8(9H)-one

출처 및 근거

ORD 기록: ord-d51a614de6604cb3a717e71dd2a865a8
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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