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Benzene → [5-[2-(Dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-chloro-4-nitrobenzoate

HRID 150877
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HRID 150877 반응식
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[S:11][c:12]3[c:13]([cH:24][cH:25][cH:26][cH:27]3)[N:14]([CH2:19][CH2:20][N:21]([CH3:22])[CH3:23])[C:15](=[O:18])[CH:16]2[OH:17])[cH:8][cH:9]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:35][c:36]1[c:37]([C:38](=[O:39])[Cl:40])[cH:41][cH:42][c:43]([N+:45](=[O:46])[O-:47])[cH:44]1.[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([CH:10]2[S:11][c:12]3[c:13]([cH:24][cH:25][cH:26][cH:27]3)[N:14]([CH2:19][CH2:20][N:21]([CH3:22])[CH3:23])[C:15](=[O:18])[CH:16]2[O:17][C:38]([c:37]2[c:36]([Cl:35])[cH:44][c:43]([N+:45](=[O:46])[O-:47])[cH:42][cH:41]2)=[O:39])[cH:8][cH:9]1
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반응물 4

HCID 241BenzeneHCID 8471TriethylamineHCID 81522Benzoyl chloride, 2-chloro-4-nitro-HCID 134215455-[2-(Dimethylamino)ethyl]-2-(4-ethoxyphenyl)-3-hydroxy-2,3-dihydro-1,5-benzothiazepin-4-one

생성물 1

HCID 13421535[5-[2-(Dimethylamino)ethyl]-2-(4-ethoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] 2-chloro-4-nitrobenzoate

출처 및 근거

ORD 기록
ord-7bf114a551c645a68068686d147dc1b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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