2-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl ester → HCID 58777631, 화합물

HRID 184897노트

반응식

HRID 184897 반응식
[C:26](=[O:27])([O:28][CH3:29])[c:30]1[s:31][cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[Cl:38].[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1>>[NH2:1][c:2]1[n:3][c:4]([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([S:35]([c:34]3[c:30]([C:26](=[O:27])[O:28][CH3:29])[s:31][cH:32][cH:33]3)(=[O:36])=[O:37])[CH2:24][CH2:25]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[c:10]1[c:11]([O:17][CH3:18])[cH:12][cH:13][c:14]([F:16])[cH:15]1

참가 물질

3

반응물 2

HCID 27367332-Thiophenecarboxylic acid, 3-(chlorosulfonyl)-, methyl esterHCID 9997668[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone

생성물 1

HCID 58777631HCID 58777631, 화합물

출처 및 근거

ORD 기록
ord-aceffc2b115243f7bfd9633a63ae0d07
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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