HRID282015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID66130

1H-Imidazole, 2-ethyl-

C5H8N2

HCID166653

Hydride

H-

结构：CCOC(=O)c1c(CCl)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

HCID10813243

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(Cn2ccnc2CC)nc2cc(OC)c(OC)cc2c1-c1ccc(OC)c(OC)c1

HCID10815422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5797f202cc44bd296f72a9664cfca11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:10]([CH3:11])[O:12][C:13](=[O:14])[c:15]1[c:16]([CH2:39][Cl:40])[n:17][c:18]2[cH:19][c:20]([O:37][CH3:38])[c:21]([O:35][CH3:36])[cH:22][c:23]2[c:24]1-[c:25]1[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]1.[CH2:3]([CH3:4])[c:5]1[nH:6][cH:7][cH:8][n:9]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[H-:1].[Na+:2].[OH2:41]>>[CH2:3]([CH3:4])[c:5]1[n:6]([CH2:39][c:16]2[c:15]([C:13]([O:12][CH2:10][CH3:11])=[O:14])[c:24](-[c:25]3[cH:26][c:27]([O:33][CH3:34])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[c:23]3[c:18]([n:17]2)[cH:19][c:20]([O:37][CH3:38])[c:21]([O:35][CH3:36])[cH:22]3)[cH:7][cH:8][n:9]1