HRID802743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

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

结构：CC(C)OCc1nc(C(C)(C)O)c(C(=O)OC(C)C)[nH]1

HCID178459024

未命名化合物

PRODUCTS

生成物

结构：CC(C)OCc1nc(C(C)(C)O)c(C(=O)OC(C)C)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ef753785ab9429ebf6d2281cde7cde3
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

[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[n:46]1[n:47][n:48][n:49][c:50]1-[c:51]1[c:52](-[c:57]2[cH:58][cH:59][c:60]([CH2:61][Br:62])[cH:63][cH:64]2)[cH:53][cH:54][cH:55][cH:56]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:66][N:67]([CH3:68])[C:69](=[O:70])[CH3:71].[CH3:72][CH2:73][O:74][C:75](=[O:76])[CH3:77].[K+:6].[OH2:65].[OH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([CH2:22][O:23][CH:24]([CH3:25])[CH3:26])[nH:14][c:15]1[C:16](=[O:17])[O:18][CH:19]([CH3:20])[CH3:21]>>[OH:7][C:8]([CH3:9])([CH3:10])[c:11]1[n:12][c:13]([CH2:22][O:23][CH:24]([CH3:25])[CH3:26])[n:14]([CH2:61][c:60]2[cH:59][cH:58][c:57](-[c:52]3[c:51](-[c:50]4[n:46]([C:27]([c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)([c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[c:40]5[cH:41][cH:42][cH:43][cH:44][cH:45]5)[n:47][n:48][n:49]4)[cH:56][cH:55][cH:54][cH:53]3)[cH:64][cH:63]2)[c:15]1[C:16](=[O:17])[O:18][CH:19]([CH3:20])[CH3:21]