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Acetic Acid → 1-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(tetrahydrofuran-3-ylamino)-1H-indole-3-carboxamide

HRID 2345427
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인쇄 미리보기

반응식

HRID 2345427 반응식
[C:39]([BH3-:40])#[N:41].[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:47][OH:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:9]2[cH:10]1.[Na+:42].[O:33]1[CH2:34][C:35](=[O:38])[CH2:36][CH2:37]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([C:21](=[O:22])[NH:23][CH2:24][c:25]3[cH:26][c:27]([F:32])[c:28]([F:31])[cH:29][cH:30]3)[c:7]([CH:18]([CH3:19])[CH3:20])[n:8]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[c:9]2[cH:10]1)[CH:35]1[CH2:34][O:33][CH2:37][CH2:36]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium IonHCID 8857Ethyl AcetateHCID 498716Cyano-borohydrideHCID 5293923-OxotetrahydrofuranHCID 597624316-Amino-1-benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-1H-indole-3-carboxamide

생성물 1

HCID 597623441-Benzyl-N-(3,4-difluorobenzyl)-2-isopropyl-6-(tetrahydrofuran-3-ylamino)-1H-indole-3-carboxamide

출처 및 근거

ORD 기록
ord-1f58831285734088862dbee872bab909
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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