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Bicarbonate Ion → 2-(((3-methyl-4-(2-(2-propyl-1,3-dioxolan-2-yl)ethoxy)pyridin-2-yl)methyl)thio)-1H-benzimidazole

HRID 161442
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HRID 161442 반응식
[C:43](=[O:44])([O-:45])[OH:46].[CH3:1][c:2]1[c:3]([CH2:19][OH:20])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][C:11]1([CH2:16][CH2:17][CH3:18])[O:12][CH2:13][CH2:14][O:15]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:28][S:29](=[O:30])(=[O:31])[Cl:32].[Na+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[SH:33][c:34]1[nH:35][c:36]2[c:37]([n:38]1)[cH:39][cH:40][cH:41][cH:42]2>>[CH3:1][c:2]1[c:3]([CH2:19][S:33][c:34]2[n:35][c:36]3[c:37]([nH:38]2)[cH:39][cH:40][cH:41][cH:42]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][CH2:10][C:11]1([CH2:16][CH2:17][CH3:18])[O:12][CH2:13][CH2:14][O:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 59792407(3-Methyl-4-(2-(2-propyl-1,3-dioxolan-2-yl)ethoxy)pyridin-2-yl)methanolHCID 178527775HCID 178527775, 화합물

생성물

1
HCID 597923962-(((3-methyl-4-(2-(2-propyl-1,3-dioxolan-2-yl)ethoxy)pyridin-2-yl)methyl)thio)-1H-benzimidazole

출처 및 근거

ORD 기록
ord-14dad6a480f5469c82339cf1cc2bde79
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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