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Dichloromethane → Tert-butyl 4-[2-[3-chloro-4-(trifluoromethyl)anilino]propyl-(3,3-dimethoxypropanoyl)amino]butanoate

HRID 2126797
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반응식

HRID 2126797 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][NH:10][CH2:11][CH:12]([CH3:13])[NH:14][c:15]1[cH:16][c:17]([Cl:25])[c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1)=[O:26].[CH3:36][O:37][CH:38]([CH2:39][C:40](=[O:41])[OH:42])[O:43][CH3:44].[CH3:45][CH2:46][CH2:47][CH2:48][N:49]([CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH3:57].[Cl:28][c:29]1[cH:30][cH:31][cH:32][cH:33][n+:34]1[CH3:35].[Cl:58][CH2:59][Cl:60].[I-:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][N:10]([CH2:11][CH:12]([CH3:13])[NH:14][c:15]1[cH:16][c:17]([Cl:25])[c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1)[C:40]([CH2:39][CH:38]([O:37][CH3:36])[O:43][CH3:44])=[O:41])=[O:26]
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반응물 6

HCID 6344DichloromethaneHCID 7622TributylamineHCID 30165Iodide IonHCID 1670702-Chloro-1-methylpyridiniumHCID 103745043,3-dimethoxypropanoic AcidHCID 67074166Tert-butyl 4-[2-[3-chloro-4-(trifluoromethyl)anilino]propylamino]butanoate

생성물 1

HCID 67073949
Tert-butyl 4-[2-[3-chloro-4-(trifluoromethyl)anilino]propyl-(3,3-dimethoxypropanoyl)amino]butanoate

출처 및 근거

ORD 기록
ord-35c136cce578438ca75764a3dd10e927
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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