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Water → Saracatinib

HRID 803014
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HRID 803014 반응식
[CH3:43][CH2:44][CH2:45][C:46]#[N:47].[CH3:6][N:7]1[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][O:15][c:16]2[cH:17][c:18]([O:27][CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:19]3[c:20](=[O:26])[nH:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:11][CH2:12]1.[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl:48][c:49]1[cH:50][cH:51][c:52]2[c:53]([c:54]1[NH2:55])[O:56][CH2:57][O:58]2.[OH2:59].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[CH3:6][N:7]1[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][O:15][c:16]2[cH:17][c:18]([O:27][CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:19]3[c:20]([NH:55][c:54]4[c:49]([Cl:48])[cH:50][cH:51][c:52]5[c:53]4[O:56][CH2:57][O:58]5)[n:21][cH:22][n:23][c:24]3[cH:25]2)[CH2:11][CH2:12]1
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반응물 6

HCID 962WaterHCID 8008ButyronitrileHCID 24813Phosphorus oxychlorideHCID 81531DiisopropylethylamineHCID 113672535-Chloro-1,3-benzodioxol-4-amineHCID 1355255577-(2-(4-Methylpiperazin-1-yl)ethoxy)-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4(3H)-one

생성물 1

HCID 10302451
Saracatinib

출처 및 근거

ORD 기록
ord-ac60f8ea40b84b96ae83e7efd4a41616
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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