HRID293202

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

HCID178467660

未命名化合物

PRODUCTS

生成物

结构：CCOCc1nc(C(C)(C)O)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e92df8ed89c547ebb42abe3c274d48df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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