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Bicarbonate Ion → N-[2-(5-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

HRID 160641
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반응식

HRID 160641 반응식
[BH4-:37].[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][n:18]4[c:19]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[n:20][cH:21][cH:22]4)[S:13]3)[nH:10][c:11]12)[S:28](=[O:29])(=[O:30])[c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:49][OH:50].[Li+:38].[Na+:39].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:40][C:41](=[O:42])[O-:43]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][n:18]4[c:19]([CH2:23][OH:24])[n:20][cH:21][cH:22]4)[S:13]3)[nH:10][c:11]12)[S:28](=[O:29])(=[O:30])[c:31]1[n:32][cH:33][cH:34][cH:35][cH:36]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 28486Lithium ionHCID 59135802ethyl 1-[(2-{7-[methyl(pyridin-2-ylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)methyl]-1H-imidazole-2-carboxylate

생성물 1

HCID 59135809N-[2-(5-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylpyridine-2-sulfonamide

출처 및 근거

ORD 기록
ord-aa7ea22f93974fe3b6282a13aeec705f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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