Acetic Acid → 4-(3Chloro-4-fluoro-phenylamino)-5,8-dihydro-6H-benzo[4,5]thieno[2,3-d]pyrimidin-7-one

반응식

[C:28]([OH:29])(=[O:30])[CH3:31].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][CH2:20][C:21]3([CH2:22]2)[O:23][CH2:26][CH2:25][O:24]3)[cH:5][cH:6][c:7]1[F:8].[OH2:27]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[s:16][c:17]2[c:18]3[CH2:19][CH2:20][C:21](=[O:23])[CH2:22]2)[cH:5][cH:6][c:7]1[F:8]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 962Water

HCID 17990145N-(3-chloro-4-fluorophenyl)-5,8-dihydro-6H-spiro[1-benzothieno[2,3-d]pyrimidine-7,2'-[1,3]dioxolan]-4-amine

생성물 1

HCID 179901384-(3Chloro-4-fluoro-phenylamino)-5,8-dihydro-6H-benzo[4,5]thieno[2,3-d]pyrimidin-7-one

출처 및 근거

ORD 기록: ord-0487cd8f204643bc9a67ccd48620f305
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…