2-Methoxy-4-morpholinoaniline → 3-Methoxy-2-[4-(2-methoxy-4-morpholin-4-yl-phenylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

HRID 161038

반응식

HRID 161038 반응식
[CH3:28][O:29][c:30]1[c:31]([NH2:42])[cH:32][cH:33][c:34]([N:36]2[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:35]1.[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:26][CH3:27])[cH:15][c:16]3[c:17]([cH:25]2)[CH2:18][CH2:19][O:20][C:21](=[O:24])[N:22]3[CH3:23])[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]>>[c:2]1([NH:42][c:31]2[c:30]([O:29][CH3:28])[cH:35][c:34]([N:36]3[CH2:37][CH2:38][O:39][CH2:40][CH2:41]3)[cH:33][cH:32]2)[n:3][c:4]([NH:12][c:13]2[c:14]([O:26][CH3:27])[cH:15][c:16]3[c:17]([cH:25]2)[CH2:18][CH2:19][O:20][C:21](=[O:24])[N:22]3[CH3:23])[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]

참가 물질

3

반응물 2

HCID 4149602-Methoxy-4-morpholinoanilineHCID 866340542-(4-Chloro-5-trifluoromethyl-pyrimidin-2-ylamino)-3-methoxy-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

생성물 1

HCID 668302183-Methoxy-2-[4-(2-methoxy-4-morpholin-4-yl-phenylamino)-5-trifluoromethyl-pyrimidin-2-ylamino]-5-methyl-8,9-dihydro-5H-7-oxa-5-aza-benzocyclohepten-6-one

출처 및 근거

ORD 기록
ord-061f5170879844d2a313600ef60b08cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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