Benzene → 1-[bis(hydroxymethyl)-methyl]-2-[N'-phenylcarbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

반응식

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

참가 물질

반응물 3

HCID 241Benzene

HCID 7672Phenyl isocyanate

HCID 136966832-(6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinolin-1-yl)-propane-1,3-diol

생성물 1

HCID 202005391-[bis(hydroxymethyl)-methyl]-2-[N'-phenylcarbamoyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

출처 및 근거

ORD 기록: ord-425363f9ef5e4d0bb65abbc0330ac667
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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