Acetic Acid → 3-(3-Hydroxymethylphenyl)-1,6-dimethyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 6344Dichloromethane

HCID 866023433-(1,6-Dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]-indol-3-yl)benzaldehyde

생성물 1

HCID 673870523-(3-Hydroxymethylphenyl)-1,6-dimethyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one

출처 및 근거

ORD 기록: ord-81669a84c18f4a12b1f9f9a5d0cbc9fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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