Dichloromethane → 4-[[2-(2-amino-5-fluoroanilino)-5-nitropyrimidin-4-yl]amino]-3,4-dihydro-2H-naphthalen-1-one

HRID 138367

반응식

HRID 138367 반응식
[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49].[F:6][c:7]1[cH:8][c:9]([NH:21][c:22]2[n:23][cH:24][c:25]([N+:40](=[O:41])[O-:42])[c:26]([NH:28][CH:29]3[CH2:30][CH2:31][C:32](=[O:39])[c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]43)[n:27]2)[c:10]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:11][cH:12]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5]1>>[F:6][c:7]1[cH:8][c:9]([NH:21][c:22]2[n:23][cH:24][c:25]([N+:40](=[O:41])[O-:42])[c:26]([NH:28][CH:29]3[CH2:30][CH2:31][C:32](=[O:39])[c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]43)[n:27]2)[c:10]([NH2:13])[cH:11][cH:12]1

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 125861,3-DioxolaneHCID 66970492tert-butyl N-[4-fluoro-2-[[5-nitro-4-[(4-oxo-2,3-dihydro-1H-naphthalen-1-yl)amino]pyrimidin-2-yl]amino]phenyl]carbamate

생성물 1

HCID 598463424-[[2-(2-amino-5-fluoroanilino)-5-nitropyrimidin-4-yl]amino]-3,4-dihydro-2H-naphthalen-1-one

출처 및 근거

ORD 기록
ord-8ca8b27aea234166a1d823631716f0bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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