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Hydrochloric Acid → Hydrochloric Acid

HRID 136738
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HRID 136738 반응식
[CH3:21][S:22](=[O:23])(=[O:24])[c:25]1[cH:26][c:27]2[c:28]([cH:34][cH:35]1)[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2.[ClH:1].[N:2]1([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[Cl:18])[cH:19][cH:20]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[ClH:18].[N:2]1([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[N:31]3[CH2:30][CH2:29][c:28]4[c:27]([cH:26][c:25]([S:22]([CH3:21])(=[O:23])=[O:24])[cH:35][cH:34]4)[CH2:33][CH2:32]3)[cH:19][cH:20]2)[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1
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반응물 3

HCID 313Hydrochloric AcidHCID 117362667-Methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 218520634-(3-Piperidin-1-ylpropoxy)benzoyl chloride

생성물 2

HCID 313Hydrochloric AcidHCID 10389991(7-Methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone

출처 및 근거

ORD 기록
ord-2c02a89567844f7fadb0554fb045a17f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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