Hydrochloric Acid → Betaxolol

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 3776Isopropanol

HCID 141218512-Phenyl-3-isopropyl-5-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxazolidine

생성물 1

HCID 2369Betaxolol

출처 및 근거

ORD 기록: ord-8c87aefc610c4938b812e0b52a143452
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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