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Acetone → 2-[1-(4-bromophenyl)-2-methylpropoxy]-N-(cyanomethyl)-4-methylpentanamide

HRID 2324384
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HRID 2324384 반응식
[C:19](#[N:20])[CH2:21][NH:22][C:23]([CH:24]([CH2:25][CH:26]([CH3:27])[CH3:28])[OH:29])=[O:30].[CH3:48][C:49](=[O:50])[CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cl:1][C:2]([Cl:3])([Cl:4])[C:16](=[NH:17])[O:18][CH:5]([CH:6]([CH3:7])[CH3:8])[c:9]1[cH:10][cH:11][c:12]([Br:15])[cH:13][cH:14]1.[Cl:58][CH2:59][Cl:60].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([O-:37])(=[O:38])=[O:39])[cH:40][cH:41]1.[nH+:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH:5]([CH:6]([CH3:7])[CH3:8])([c:9]1[cH:10][cH:11][c:12]([Br:15])[cH:13][cH:14]1)[O:29][CH:24]([C:23]([NH:22][CH2:21][C:19]#[N:20])=[O:30])[CH2:25][CH:26]([CH3:27])[CH3:28]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 180AcetoneHCID 6344DichloromethaneHCID 8857Ethyl Acetate2회HCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 694708711-(4-Bromophenyl)-2-methylpropyl 2,2,2-trichloroethanimidoateHCID 178447176HCID 178447176, 화합물

생성물

1
HCID 851345292-[1-(4-bromophenyl)-2-methylpropoxy]-N-(cyanomethyl)-4-methylpentanamide

출처 및 근거

ORD 기록
ord-0b8748bb3b1b4797a62582434c03bd24
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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