HRID1226384

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID4574913

未命名化合物

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

HCID10053461

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

C33H25BrN4

HCID178441743

未命名化合物

PRODUCTS

生成物

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

HCID19036161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b07cbfef469643a992c5ccf368050d0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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