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Pyridine → [8-Chloro-2-(4-methoxyphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] propanoate

HRID 115842
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HRID 115842 반응식
[C:1]([CH2:2][CH3:3])(=[O:4])[Cl:5].[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]([CH:14]2[S:15][c:16]3[c:17]([cH:37][cH:38][c:39]([Cl:41])[cH:40]3)[N:18]([CH2:23][CH2:24][N:25]([CH3:26])[C:27](=[O:28])[O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C:19](=[O:22])[CH:20]2[OH:21])[cH:12][cH:13]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[C:1]([CH2:2][CH3:3])(=[O:4])[O:21][CH:20]1[CH:14]([c:11]2[cH:10][cH:9][c:8]([O:7][CH3:6])[cH:13][cH:12]2)[S:15][c:16]2[c:17]([cH:37][cH:38][c:39]([Cl:41])[cH:40]2)[N:18]([CH2:23][CH2:24][N:25]([CH3:26])[C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:19]1=[O:22]
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참가 물질

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반응물 3

HCID 1049PyridineHCID 62324Propionyl chlorideHCID 13604007benzyl N-[2-[8-chloro-3-hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl]-N-methylcarbamate

생성물 1

HCID 23323452[8-Chloro-2-(4-methoxyphenyl)-5-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] propanoate

출처 및 근거

ORD 기록
ord-2cb5c2b926a94d2aa39c81aae4d9911c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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