HRID173236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID937941

3-benzyl-6-chloro-1H-pyrimidine-2,4-dione

C11H9ClN2O2

结构：BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID10053461

5-[4'-(Bromomethyl)[1,1'-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole

C33H25BrN4

PRODUCTS

生成物

结构：O=c1cc(Cl)n(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c(=O)n1Cc1ccccc1

HCID19811548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ec302787aae4535ab51eefa459e6fc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:17][CH2:18][c:19]1[cH:20][cH:21][c:22](-[c:25]2[c:26](-[c:31]3[n:32][n:33][n:34][n:35]3[C:36]([c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[cH:27][cH:28][cH:29][cH:30]2)[cH:23][cH:24]1.[C:55](=[O:56])([O-:57])[O-:58].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:16])[nH:10][c:11]([Cl:15])[cH:12][c:13]1=[O:14].[K+:59].[K+:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](=[O:16])[n:10]([CH2:18][c:19]2[cH:20][cH:21][c:22](-[c:25]3[c:26](-[c:31]4[n:32][n:33][n:34][n:35]4[C:36]([c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:27][cH:28][cH:29][cH:30]3)[cH:23][cH:24]2)[c:11]([Cl:15])[cH:12][c:13]1=[O:14]