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Bicarbonate Ion → 2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile

HRID 87534
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HRID 87534 반응식
[C:24](=[O:25])([OH:26])[O-:27].[Cl:29][CH2:30][c:31]1[n:32][c:33](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[s:34][cH:35]1.[NH2:1][c:2]1[n:3][c:4]([SH:23])[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[Na+:28].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[NH2:1][c:2]1[n:3][c:4]([S:23][CH2:30][c:31]2[n:32][c:33](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[s:34][cH:35]2)[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]
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7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 2369694-(Chloromethyl)-2-phenyl-1,3-thiazoleHCID 178496105HCID 178496105, 화합물

생성물 1

HCID 21949084
2-Amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulphanyl]pyridine-3,5-dicarbonitrile

출처 및 근거

ORD 기록
ord-159f6f9999b741459c481e3e36881fd6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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