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Acetate → 5-Chloro-1H-indole-2-carboxylic acid [1-benzyl-2-(4-methylamino-piperidin-1-yl)-2-oxo-ethyl]-amide

HRID 1238147
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인쇄 미리보기

반응식

HRID 1238147 반응식
[C:10]([BH3-:11])#[N:12].[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH:21]([C:22]([N:23]1[CH2:24][CH2:25][C:26](=[O:29])[CH2:27][CH2:28]1)=[O:30])[NH:31][C:32](=[O:33])[c:34]1[nH:35][c:36]2[cH:37][cH:38][c:39]([Cl:43])[cH:40][c:41]2[cH:42]1.[CH3:2][NH:3][CH3:4].[CH3:44][OH:45].[CH3:6][C:7](=[O:8])[O-:9].[ClH:1].[Na+:13].[Na+:5]>>[CH3:2][NH:3][CH:26]1[CH2:25][CH2:24][N:23]([C:22]([CH:21]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:31][C:32](=[O:33])[c:34]2[nH:35][c:36]3[cH:37][cH:38][c:39]([Cl:43])[cH:40][c:41]3[cH:42]2)=[O:30])[CH2:28][CH2:27]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 674DimethylamineHCID 887MethanolHCID 923Sodium Ion2회HCID 498716Cyano-borohydrideHCID 543267115-chloro-1H-indole-2-carboxylic acid [1-benzyl-2-oxo-2-(4-oxo-piperidin-1-yl)-ethyl]-amide

생성물

1
HCID 536941855-Chloro-1H-indole-2-carboxylic acid [1-benzyl-2-(4-methylamino-piperidin-1-yl)-2-oxo-ethyl]-amide

출처 및 근거

ORD 기록
ord-2ecb9be14eab4b78a9775a0a4520299d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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