HRID2158008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1ccc(S(=O)(=O)n2ccc3c2nc(Cl)n2c(=O)c4c(F)cccc4nc32)cc1

HCID59441627

未命名化合物

HCID59441662

5-chloro-1-[(dimethylamino)acetyl]-2,3-dihydro-1H-indol-6-amine

C12H16ClN3O

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c2nc(Nc2cc4c(cc2Cl)CCN4C(=O)CN(C)C)n2c(=O)c4c(F)cccc4nc32)cc1

HCID67316228

5-{[5-chloro-1-(N,N-dimethylglycyl)-2,3-dihydro-1H-indol-6-yl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

C32H27ClFN7O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01a6ac4308424fc99266eae2bb25c488
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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