HRID182023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID222461

1-(3-Aminophenyl)ethanol

C8H11NO

结构：Cn1c(=O)c(-c2c(Cl)ccc(NC(=O)c3cccc(C(F)(F)F)c3)c2Cl)cc2cnc(S(C)(=O)=O)nc21

HCID59833791

未命名化合物

PRODUCTS

生成物

结构：CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)ccc(NC(=O)c5cccc(C(F)(F)F)c5)c4Cl)c(=O)n(C)c3n2)c1

HCID11273621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a876747e0a04a5a961cd5798b46cec9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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