Trifluoroacetic acid → Methyl-phenyl-carbamic Acid 4-{2-[4-(2-dimethylamino-ethyl)-phenoxy]-ethyl}-phenyl Ester

반응식

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

참가 물질

반응물 3

HCID 6422Trifluoroacetic acid

HCID 68313Hordenine

HCID 69520342Methyl-phenyl-carbamic Acid 4-(2-hydroxy-ethyl)-phenyl Ester

생성물 1

HCID 69519061Methyl-phenyl-carbamic Acid 4-{2-[4-(2-dimethylamino-ethyl)-phenoxy]-ethyl}-phenyl Ester

출처 및 근거

ORD 기록: ord-dd826b70be9c4b0882858110000a4fb0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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