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Chloride → 2-(4-{[7-(3-chloropropoxy)quinazolin-4-yl]amino}-1H-pyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide

HRID 150492
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HRID 150492 반응식
[CH3:2][O:3][C:4]1=[N:18][N:10]([N+:11]2([CH3:12])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[NH:9][C:6]([O:7][CH3:8])=[CH:5]1.[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[Cl-:1].[Cl:19][CH2:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([NH:34][c:35]3[cH:36][n:37][n:38]([CH2:40][C:41](=[O:42])[OH:43])[cH:39]3)[n:29][cH:30][n:31][c:32]2[cH:33]1.[F:44][c:45]1[c:46]([NH2:47])[c:48]([F:52])[cH:49][cH:50][cH:51]1.[OH2:53]>>[Cl:19][CH2:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27]2[c:28]([NH:34][c:35]3[cH:36][n:37][n:38]([CH2:40][C:41](=[O:42])[NH:47][c:46]4[c:45]([F:44])[cH:51][cH:50][cH:49][c:48]4[F:52])[cH:39]3)[n:29][cH:30][n:31][c:32]2[cH:33]1
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반응물 6

HCID 312ChlorideHCID 962WaterHCID 6228DimethylformamideHCID 796472,6-DifluoroanilineHCID 668833824-(4,6-dimethoxy-1H-triazin-2-yl)-4-methylmorpholin-4-iumHCID 68638745(4-{[7-(3-chloropropoxy)quinazolin-4-yl]amino}-1H-pyrazol-1-yl)acetic acid

생성물 1

HCID 68638287
2-(4-{[7-(3-chloropropoxy)quinazolin-4-yl]amino}-1H-pyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide

출처 및 근거

ORD 기록
ord-41b4fa9d0e584749b5166e48d0bd556a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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