HRID816211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID19660

Carbonate

CO3-2

结构：CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID46783205

2-Butyl-4-chloro-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylic acid

C41H35ClN6O2

PRODUCTS

生成物

结构：CCCCc1nc(Cl)c(C(=O)OCC(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID67979259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96114eb7f7fe43b5bcd1717f783f7e91
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][CH2:2][C:3](=[O:4])[O:5][CH2:6][CH3:7].[C:58](=[O:59])([O-:60])[O-:61].[CH2:8]([CH2:9][CH2:10][CH3:11])[c:12]1[n:13]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29](-[c:34]4[n:35][n:36][n:37][n:38]4[C:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:14]([C:18](=[O:19])[OH:20])[c:15]([Cl:17])[n:16]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[K+:62].[K+:63].[OH2:64]>>[CH2:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[O:20][C:18]([c:14]1[n:13]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[c:29](-[c:34]4[n:35][n:36][n:37][n:38]4[C:39]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:46]4[cH:47][cH:48][cH:49][cH:50][cH:51]4)[c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[c:12]([CH2:8][CH2:9][CH2:10][CH3:11])[n:16][c:15]1[Cl:17])=[O:19]