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1,2-Dichloroethane → [5-(3-Ethanesulfonyl-phenyl)-3-methyl-9H-pyrido[2,3-b]indol-7-yl]-(4-methyl-piperazin-1-yl)-methanone

HRID 664288
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HRID 664288 반응식
[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8](-[c:12]2[c:13]3[c:14]4[c:15]([nH:16][c:17]3[cH:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[n:24][cH:25][c:26]([CH3:28])[cH:27]4)[cH:9][cH:10][cH:11]1.[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH3:43][N:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[Cl:50][CH2:51][Cl:52].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[c:6]1[cH:7][c:8](-[c:12]2[c:13]3[c:14]4[c:15]([nH:16][c:17]3[cH:18][c:19]([C:21](=[O:22])[N:47]3[CH2:46][CH2:45][N:44]([CH3:43])[CH2:49][CH2:48]3)[cH:20]2)[n:24][cH:25][c:26]([CH3:28])[cH:27]4)[cH:9][cH:10][cH:11]1
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반응물 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 531671-MethylpiperazineHCID 757711-HydroxybenzotriazoleHCID 588801865-(3-Ethanesulfonyl-phenyl)-3-methyl-9H-pyrido[2,3-b]indole-7-carboxylic acid

생성물 1

HCID 25016995[5-(3-Ethanesulfonyl-phenyl)-3-methyl-9H-pyrido[2,3-b]indol-7-yl]-(4-methyl-piperazin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-549b68d59b284157ae39c53e3ada732a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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