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Dichloromethane → 2-Chloro-N-{2-[4-(4-Methyl-Piperazine-1-Carbonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-Benzamide

HRID 318804
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HRID 318804 반응식
[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[Cl:51][CH2:52][Cl:53].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:15])[OH:16])[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23].[NH2:28][c:29]1[cH:30][n:31][c:32]([NH:35][c:36]2[cH:37][cH:38][c:39]([C:42](=[O:43])[N:44]3[CH2:45][CH2:46][N:47]([CH3:50])[CH2:48][CH2:49]3)[cH:40][cH:41]2)[n:33][cH:34]1.[S:24]([Cl:25])([Cl:26])=[O:27]>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]([Cl:18])[c:13]([C:14](=[O:15])[NH:28][c:29]3[cH:30][n:31][c:32]([NH:35][c:36]4[cH:37][cH:38][c:39]([C:42](=[O:43])[N:44]5[CH2:45][CH2:46][N:47]([CH3:50])[CH2:48][CH2:49]5)[cH:40][cH:41]4)[n:33][cH:34]3)[cH:17]2)[cH:19][cH:20][cH:21]1)([F:22])[F:23]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 24386Thionyl ChlorideHCID 534011722-Chloro-5-(3-(trifluoromethyl)benzamido)benzoic acidHCID 58748687(4-(5-Aminopyrimidin-2-ylamino)phenyl)(4-methylpiperazin-1-yl)methanone

생성물 1

HCID 24962187
2-Chloro-N-{2-[4-(4-Methyl-Piperazine-1-Carbonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-Benzamide

출처 및 근거

ORD 기록
ord-401fd0b0133d44178d25bae14ad37fbe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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