HRID97658

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

HCID104967

Cesium(1+)

Cs+

2 次

HCID10419219

5-(CHLOROMETHYL)-1-METHYL-1H-1,2,4-TRIAZOLE

C4H6ClN3

结构：O=c1[nH]c2c(-c3ccccc3)nncc2cc1-c1ccccc1

HCID11483405

未命名化合物

PRODUCTS

生成物

结构：Cn1ncnc1COc1nc2c(-c3ccccc3)nncc2cc1-c1ccccc1

HCID9952519

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17bfea6503fc41d5bec8190b7ed2c2b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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