HRID201410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2CC(O)c1c(C)cc(C)cc1C

HCID59259156

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2C=Cc1c(C)cc(C)cc1C

HCID72263845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76c114114c6e44fb81ba993eb17eee0e
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

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