HRID110550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4340561

2-Aminoethylmethyl sulfone

C3H9NO2S

结构：O=Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID11181296

5-(4-{3-Chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

C26H17ClFN3O3

PRODUCTS

生成物

结构：CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

HCID208908

Lapatinib

C29H26ClFN4O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9debc4da0b8b4bb48463e20ceb607221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:35][S:36](=[O:37])(=[O:38])[CH2:39][CH2:40][NH2:41].[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][cH:12][c:13](-[c:16]4[cH:17][cH:18][c:19]([CH:21]=[O:22])[o:20]4)[cH:14][c:15]23)[cH:23][cH:24][c:25]1[O:26][CH2:27][c:28]1[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][c:6]2[n:7][cH:8][n:9][c:10]3[cH:11][cH:12][c:13](-[c:16]4[cH:17][cH:18][c:19]([CH2:21][NH:41][CH2:40][CH2:39][S:36]([CH3:35])(=[O:37])=[O:38])[o:20]4)[cH:14][c:15]23)[cH:23][cH:24][c:25]1[O:26][CH2:27][c:28]1[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]1