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Dimethyl Sulfoxide → 3-{3-Cyano-6-[(2,2-dimethyl-propyl)-amino]-5-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide

HRID 147161
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인쇄 미리보기

반응식

HRID 147161 반응식
[CH3:32][S:33]([CH3:34])=[O:35].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([F:16])[c:8]([NH:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[n:9]1.[F-:30].[K+:31].[NH2:17][c:18]1[cH:19][c:20]([C:21](=[O:22])[NH:23][O:24][CH3:25])[cH:26][cH:27][c:28]1[CH3:29]>>[c:2]1([NH:17][c:18]2[cH:19][c:20]([C:21](=[O:22])[NH:23][O:24][CH3:25])[cH:26][cH:27][c:28]2[CH3:29])[c:3]([C:4]#[N:5])[cH:6][c:7]([F:16])[c:8]([NH:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[n:9]1
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참가 물질

6

반응물 5

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 28179Fluoride IonHCID 207670003-Amino-N-methoxy-4-methylbenzamideHCID 865887982-Chloro-6-[(2,2-dimethyl-propyl)-amino]-5-fluoro-nicotinonitrile

생성물 1

HCID 101346713-{3-Cyano-6-[(2,2-dimethyl-propyl)-amino]-5-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide

출처 및 근거

ORD 기록
ord-b7168872c2c74768b5319ad9d18c95fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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