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proline dl-form → 2-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-isopropylacetamide

HRID 96574
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HRID 96574 반응식
[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1.[Cl:33][CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40].[Cu:41][I:42].[K+:30].[K+:31].[K+:32].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH:17][C:18]([CH:19]1[NH:20][CH2:21][CH2:22][CH2:23]1)=[O:24].[P:25]([O-:26])([O-:27])([O-:28])=[O:29]>>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[n:6]([CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1
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참가 물질

8

반응물 7

HCID 614proline dl-formHCID 813Potassium Cation3회HCID 1061PhosphateHCID 6228DimethylformamideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 761712-chloro-N-(1-methylethyl)acetamideHCID 685600921,2,3,4,5,6-Hexahydro-3,9-dimethylazepino[4,5-b]indole
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생성물 1

HCID 593684752-(3,9-dimethyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-isopropylacetamide

출처 및 근거

ORD 기록
ord-e5e19e4e54c445bb8bc519301f4db846
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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