Hordenine → Methyl-phenyl-carbamic Acid 4-[4-(2-dimethylamino-ethyl)-phenoxymethyl]-phenyl Ester

반응식

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

참가 물질

반응물 2

HCID 68313Hordenine

HCID 69518671Methyl-phenyl-carbamic Acid 4-hydroxymethyl-phenyl Ester

생성물 1

HCID 69519390Methyl-phenyl-carbamic Acid 4-[4-(2-dimethylamino-ethyl)-phenoxymethyl]-phenyl Ester

출처 및 근거

ORD 기록: ord-59826652483442c1bd39c39f51e85538
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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