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

HRID 163585
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HRID 163585 반응식
[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]3.[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]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([n:7]([CH2:34][C:35](=[O:36])[NH:37][CH:38]([CH3:39])[CH3:40])[c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15]3
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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 685585079-Chloro-3-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
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생성물 1

HCID 593684592-(9-chloro-3-methyl-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)-N-isopropylacetamide

출처 및 근거

ORD 기록
ord-adb815b38e3645efaa8c5dedc0cdd12e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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