2,2-Dimethylchroman-6-carboxylic acid → 2,2-Dimethyl-chroman-6-carboxylic acid (3-hydroxymethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-amide

반응식

[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:13])[OH:14])[cH:8][c:9]2[CH2:10][CH2:11]1.[NH2:16][c:17]1[cH:18][cH:19][c:20]2[c:25]([cH:26]1)[NH:24][C:23](=[O:27])[CH:22]([CH2:28][OH:29])[CH2:21]2>>[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[cH:5][cH:6][c:7]([C:12](=[O:14])[NH:16][c:17]3[cH:18][cH:19][c:20]4[c:25]([cH:26]3)[NH:24][C:23](=[O:27])[CH:22]([CH2:28][OH:29])[CH2:21]4)[cH:8][c:9]2[CH2:10][CH2:11]1

참가 물질

반응물 2

HCID 2220642,2-Dimethylchroman-6-carboxylic acid

HCID 578080407-amino-3-hydroxymethyl-3,4-dihydro-1H-quinolin-2-one

생성물 1

HCID 113948832,2-Dimethyl-chroman-6-carboxylic acid (3-hydroxymethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-amide

출처 및 근거

ORD 기록: ord-70523e4c2fff47f78af6ba2cfd8ab814
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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