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Chloride → 5-[3-[(dimethylamino)methyl]-4,5-bis(methyloxy)phenyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

HRID 299953
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HRID 299953 반응식
[C:36]([BH3-:37])#[N:38].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:33](=[O:34])[NH2:35])[cH:17][c:18](-[c:21]4[cH:22][c:23]([CH:31]=[O:32])[c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1.[CH3:40][NH:41][CH3:42].[CH3:43][OH:44].[Cl-:45].[Cl-:47].[Na+:39].[Zn+2:46]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([c:12]2[cH:13][nH:14][c:15]3[c:16]([C:33](=[O:34])[NH2:35])[cH:17][c:18](-[c:21]4[cH:22][c:23]([CH2:31][N:41]([CH3:40])[CH3:42])[c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]4)[cH:19][c:20]23)[CH2:10][CH2:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312Chloride2회HCID 674DimethylamineHCID 887MethanolHCID 923Sodium IonHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 866310263-[1-(ethylsulfonyl)-4-piperidinyl]-5-[3-formyl-4,5-bis(methyloxy)phenyl]-1H-indole-7-carboxamide

생성물

1
HCID 160373075-[3-[(dimethylamino)methyl]-4,5-bis(methyloxy)phenyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

출처 및 근거

ORD 기록
ord-cbdac479566e4b568d1979939fb17d28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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