1-[4-(Bromomethyl)phenyl]ethan-1-one → 6-(4-acetylbenzylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 290983

반응식

HRID 290983 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[C:26]([CH3:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH2:33][Br:34])[cH:35][cH:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH2:33][c:32]3[cH:31][cH:30][c:29]([C:26]([CH3:27])=[O:28])[cH:36][cH:35]3)[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1

참가 물질

3

반응물 2

HCID 5837851-[4-(Bromomethyl)phenyl]ethan-1-oneHCID 576559793-tert-butoxycarbonyl-7-chloro-6-dimethylaminocarbonylthio-2,3,4,5-tetrahydro-1H-benzo[d]azepine

생성물 1

HCID 576561896-(4-acetylbenzylthio)-3-tert-butoxycarbonyl-7-chloro-2,3,4,5-tetrahydro-1H-benzo[d]azepine

출처 및 근거

ORD 기록
ord-dd84d1b3d61f4d74aa438c996f73449e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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