HRID678755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

结构：CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID227274

未命名化合物

HCID22995430

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2c(NC(C)C)nc3c(Cl)cccc32)C(OC(C)=O)C1OC(C)=O

HCID178476031

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f80cdccf874566acd979d95ff733b5
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:27]([O:28][CH:31]1[CH:32]([O:33][C:34]([CH3:35])=[O:36])[CH:37]([O:38][C:39]([CH3:40])=[O:41])[CH:42]([CH2:44][O:45][C:46]([CH3:47])=[O:48])[O:43]1)(=[O:29])[CH3:30].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[nH:7][c:8]([NH:11][CH:12]([CH3:13])[CH3:14])[n:9][c:10]12.[Cl:49][CH2:50][CH2:51][Cl:52].[F:15][C:16]([F:17])([F:18])[S:19]([O:20][Si:21]([CH3:22])([CH3:23])[CH3:24])(=[O:25])=[O:26]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[n:7]([CH:31]3[CH:32]([O:33][C:34]([CH3:35])=[O:36])[CH:37]([O:38][C:39]([CH3:40])=[O:41])[CH:42]([CH2:44][O:45][C:46]([CH3:47])=[O:48])[O:43]3)[c:8]([NH:11][CH:12]([CH3:13])[CH3:14])[n:9][c:10]12