HRID2154148

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

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

结构：CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)[nH]1

HCID178440074

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f266fd0c127e4a9e93a50860307549dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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