2-Methylbenzoic acid → 2-Methyl-N-[4-[(2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]phenyl]benzamide

반응식

[CH3:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][cH:10]1.[NH2:11][c:12]1[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][CH2:21][C:22](=[O:29])[c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:30][cH:31]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:6])[NH:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:18]3[CH2:19][CH2:20][CH2:21][C:22](=[O:29])[c:23]4[c:24]3[cH:25][cH:26][cH:27][cH:28]4)[cH:30][cH:31]2)[cH:7][cH:8][cH:9][cH:10]1

참가 물질

반응물 2

HCID 83732-Methylbenzoic acid

HCID 107078741-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

생성물 1

HCID 108108812-Methyl-N-[4-[(2,3,4,5-tetrahydro-5-oxo-1H-1-benzazepin-1-yl)carbonyl]phenyl]benzamide

출처 및 근거

ORD 기록: ord-991f6f53cd124371942a016e50b8de50
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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