Hydrochloric Acid → Hydrochloric Acid

반응식

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH2:10][CH:11]([C:15]([CH2:16][c:17]2[c:18]([O:23][C:24]([F:25])([F:26])[F:27])[cH:19][cH:20][cH:21][cH:22]2)([OH:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[O:12][CH2:13][CH2:14]1.[ClH:1].[OH2:35]>>[ClH:1].[NH:9]1[CH2:10][CH:11]([C:15]([CH2:16][c:17]2[c:18]([O:23][C:24]([F:25])([F:26])[F:27])[cH:19][cH:20][cH:21][cH:22]2)([OH:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[O:12][CH2:13][CH2:14]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 962Water

HCID 692922931-(4-Benzyl-morpholin-2-yl)-1-phenyl-2-(2-trifluoromethoxy-phenyl)-ethanol

생성물 2

HCID 313Hydrochloric Acid

HCID 103168791-Morpholin-2-yl-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol

출처 및 근거

ORD 기록: ord-834c2695177a4b189159b20b1293a82d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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