Hydrochloric Acid → 2-Amino-propionic acid 4-[2-amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzyl ester

반응식

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

참가 물질

반응물 2

HCID 313Hydrochloric Acid

HCID 68984495[4-[[2-Amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

생성물 1

HCID 426063002-Amino-propionic acid 4-[2-amino-6-(5-chloro-2-ethoxy-phenyl)-pyrimidin-4-ylamino]-benzyl ester

출처 및 근거

ORD 기록: ord-688ec2d2368340f49f746f3c0a652d88
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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