HRID210424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID58977991

未命名化合物

结构：O=C(O)c1c(OCc2ccccc2)c2ncccc2n(Cc2ccccc2)c1=O

HCID58978003

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(F)ccc1CNC(=O)c1c(OCc2ccccc2)c2ncccc2n(Cc2ccccc2)c1=O

HCID58977997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9e5ba60c2834ff9b1ccc9edc8261bbc
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:29])[c:10]([C:26](=[O:27])[OH:28])[c:11]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]12.[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl-:34].[F:35][c:36]1[cH:37][c:38]([C:44](=[O:45])[NH:46][CH3:47])[c:39]([CH2:42][NH3+:43])[cH:40][cH:41]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:29])[c:10]([C:26](=[O:28])[NH:43][CH2:42][c:39]2[c:38]([C:44](=[O:45])[NH:46][CH3:47])[cH:37][c:36]([F:35])[cH:41][cH:40]2)[c:11]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:12]2[n:13][cH:14][cH:15][cH:16][c:17]12