Isoquinoline-1-carboxylic acid → Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate

반응식

[O:1]=[C:2]1[N:3]([CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:4]2[c:5]([cH:22][cH:23][cH:24][cH:25]2)[C:6](=[O:21])[CH2:7][CH:8]1[NH:9][C:10]([c:11]1[cH:12][c:13]([CH3:14])[c:15]([OH:16])[c:17]([CH3:18])[cH:19]1)=[O:20].[c:37]1([C:47]([OH:48])=[O:49])[n:38][cH:39][cH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12>>[O:1]=[C:2]1[N:3]([CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:4]2[c:5]([cH:22][cH:23][cH:24][cH:25]2)[C:6](=[O:21])[CH2:7][CH:8]1[NH:9][C:10](=[O:20])[c:37]1[n:38][cH:39][cH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12

참가 물질

반응물 2

HCID 68092Isoquinoline-1-carboxylic acid

HCID 18317224Benzyl 2-[3-[(4-hydroxy-3,5-dimethylbenzoyl)amino]-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate

생성물 1

HCID 18317229Benzyl 2-[3-(isoquinoline-1-carbonylamino)-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate

출처 및 근거

ORD 기록: ord-431ea0e90e69475eb5a88b5bed69cca9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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