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Bicarbonate Ion → 2-Amino-4-(cis-4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)pyridine-3,5-dicarbonitrile

HRID 92662
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HRID 92662 반응식
[C:41](=[O:42])([OH:43])[O-:44].[Cl:27][CH2:28][c:29]1[n:30][c:31](-[c:34]2[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]2)[s:32][cH:33]1.[NH2:1][c:2]1[n:3][c:4]([SH:26])[c:5]([C:24]#[N:25])[c:6]([CH:10]2[CH2:11][CH2:12][CH:13]([O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15]2)[c:7]1[C:8]#[N:9].[Na+:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[NH2:1][c:2]1[n:3][c:4]([S:26][CH2:28][c:29]2[n:30][c:31](-[c:34]3[cH:35][cH:36][c:37]([Cl:40])[cH:38][cH:39]3)[s:32][cH:33]2)[c:5]([C:24]#[N:25])[c:6]([CH:10]2[CH2:11][CH2:12][CH:13]([O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15]2)[c:7]1[C:8]#[N:9]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 6102974-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazoleHCID 1784550312-Amino-4-(4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-6-mercaptopyridine-3,5-dicarbonitrile

생성물 1

HCID 68702092
2-Amino-4-(cis-4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-6-({[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl}thio)pyridine-3,5-dicarbonitrile

출처 및 근거

ORD 기록
ord-ad416d5c39e94c2c85b86c6783e56e8b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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