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Carbonate Ion → 2-Methyl-6-[2-(3-methoxy-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

HRID 1551644
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HRID 1551644 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH2:20]([CH:21]([CH3:22])[CH3:23])[NH:24][C:25](=[O:26])[c:27]1[c:28]([CH3:37])[o:29][c:30]2[c:31]1[cH:32][cH:33][c:34]([OH:36])[cH:35]2.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH2:14][CH:15]([O:18][CH3:19])[CH2:16][CH2:17]1)[s:10]2.[Cs+:42].[Cs+:43]>>[c:2]1([O:36][c:34]2[cH:33][cH:32][c:31]3[c:27]([C:25]([NH:24][CH2:20][CH:21]([CH3:22])[CH3:23])=[O:26])[c:28]([CH3:37])[o:29][c:30]3[cH:35]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[cH:8][c:9]([C:11](=[O:12])[N:13]1[CH2:14][CH:15]([O:18][CH3:19])[CH2:16][CH2:17]1)[s:10]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 207678656-Hydroxy-2-methyl-benzofuran-3-carboxylic acid isobutyl amideHCID 22143527(3-Methoxy-pyrrolidin-1-yl)-[7-chloro-thieno[3,2-b]pyridin-2-yl]-methanone

생성물 1

HCID 207679262-Methyl-6-[2-(3-methoxy-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-benzofuran-3-carboxylic acid isobutyl amide

출처 및 근거

ORD 기록
ord-052220d66d484deca9a10a34791283a4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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