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Hydrochloric Acid → (2-{1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-yloxy}-ethyl)-dimethyl-amine

HRID 302144
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HRID 302144 반응식
[C:1](=[O:2])([O-:3])[O-:4].[CH3:44][N:45]([CH2:46][CH2:47][Cl:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[ClH:43].[K+:5].[K+:6].[c:7]1([S:13](=[O:14])(=[O:15])[n:16]2[c:17]([C:26](=[CH:27][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[c:33]3[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]3)[cH:18][c:19]3[c:20]2[n:21][cH:22][c:23]([OH:25])[cH:24]3)[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[c:7]1([S:13](=[O:14])(=[O:15])[n:16]2[c:17]([C:26](=[CH:27][CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[c:33]3[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH3:42])[cH:37][cH:38]3)[cH:18][c:19]3[c:20]2[n:21][cH:22][c:23]([O:25][CH2:47][CH2:46][N:45]([CH3:44])[CH3:49])[cH:24]3)[cH:8][cH:9][cH:10][cH:11][cH:12]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 672285961-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-ol

생성물 1

HCID 67228165(2-{1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-yloxy}-ethyl)-dimethyl-amine

출처 및 근거

ORD 기록
ord-29d392f438ee4bce8a8ab98100541c4a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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