Dichloromethane → cis-N2-(4-amino-cyclohexylmethyl)-N4,N4-dimethyl-quinazoline-2,4-diamine

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 68847097cis-{4-[(4-Dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexyl}-carbamic acid tert-butyl ester

생성물 1

HCID 68846875cis-N2-(4-amino-cyclohexylmethyl)-N4,N4-dimethyl-quinazoline-2,4-diamine

출처 및 근거

ORD 기록: ord-0fbc6793193e4807a03761f70dd28b7a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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