HRID149218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID171040

4-Bromo-2-fluorotoluene

C7H6BrF

结构：OB(O)c1ccccc1-c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID10342745

2-(1-TRITYL-1H-TETRAZOL-5-YL)PHENYLBORONIC ACID

C26H21BN4O2

PRODUCTS

生成物

结构：Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1F

HCID19430427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c3137ee861e43fdb10a3bd6afe157c1
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

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