HRID202920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID77568

Benzene, 1-(bromomethyl)-3-nitro-

C7H6BrNO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cc1nc(-c2ccccc2Cl)n2c1c(C)nc1cc(O)ccc12

HCID42629710

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccccc2Cl)n2c1c(C)nc1cc(OCc3cccc([N+](=O)[O-])c3)ccc12

HCID42629830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b49667db68a4fc691f1da506f296db6
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

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