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1,2-Dichloroethane → 4-Chloro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-chloro-phenyl)-ethyl]-amide

HRID 667747
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반응식

HRID 667747 반응식
[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([CH2:22][NH:23][CH2:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:33][cH:34]1.[CH2:38]([Cl:39])[CH2:40][Cl:41].[Cl:1][c:2]1[c:3]2[cH:4][cH:5][nH:6][c:7]2[c:8]([C:11](=[O:12])[OH:13])[cH:9][cH:10]1.[Cl:35][CH2:36][Cl:37].[ClH:42]>>[Cl:1][c:2]1[c:3]2[cH:4][cH:5][nH:6][c:7]2[c:8]([C:11](=[O:13])[N:23]([CH2:22][c:21]2[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:34][cH:33]2)[CH2:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:9][cH:10]1
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참가 물질

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반응물 5

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 29792506(4-Tert-butylbenzyl)-[2-(4-chlorophenyl)-ethyl]-amineHCID 693468504-Chloro-1H-indole-7-carboxylic acid

생성물 1

HCID 866031044-Chloro-1H-indole-7-carboxylic acid (4-tert-butyl-benzyl)-[2-(4-chloro-phenyl)-ethyl]-amide

출처 및 근거

ORD 기록
ord-4f84b7fdaabc4afe8d9b85f0eaf0f006
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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