HRID170976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID10053461

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

C33H25BrN4

HCID14962892

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(-n2c(C)ccc2C)c(C=O)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19106920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b93981aeb9ca49c6bd2eca3a9c15aef2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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