HRID208034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

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

HCID10053461

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

C33H25BrN4

HCID178440079

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036118

Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylate

C45H44N6O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab6f197765c140149df8a43d37020e23
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

[Br-:62].[C:56](=[O:57])([O-:58])[O-:59].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:14]([CH3:15])([CH3:16])[OH:17])[n:8][c:9]([CH2:11][CH2:12][CH3:13])[nH:10]1.[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:80][C:81](=[O:82])[CH3:83].[CH3:84][C:85]#[N:86].[K+:60].[K+:61].[c:18]1([C:24]([n:25]2[n:26][n:27][n:28][c:29]2-[c:30]2[c:31](-[c:36]3[cH:37][cH:38][c:39]([CH2:42][Br:43])[cH:40][cH:41]3)[cH:32][cH:33][cH:34][cH:35]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([C:14]([CH3:15])([CH3:16])[OH:17])[n:8][c:9]([CH2:11][CH2:12][CH3:13])[n:10]1[CH2:42][c:39]1[cH:38][cH:37][c:36](-[c:31]2[c:30](-[c:29]3[n:25]([C:24]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)([c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[c:50]4[cH:51][cH:52][cH:53][cH:54][cH:55]4)[n:26][n:27][n:28]3)[cH:35][cH:34][cH:33][cH:32]2)[cH:41][cH:40]1