HRID687652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID1909002

1-(Prop-2-yn-1-yl)-1H-indole-2,3-dione

C11H7NO2

结构：Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2

HCID14851924

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc2n1-c1sc(C#CCN3C(=O)C(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2

HCID14851859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e2501ab3ad4465fa39ac3b114a8ebe3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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