HRID296648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID2734671

3,4,5-Trifluorophenylboronic acid

C6H4BF3O2

HCID11580021

4-bromo-6-trifluoromethyl-1,3-dihydrobenzoimidazol-2-one

C8H4BrF3N2O

PRODUCTS

生成物

结构：O=c1[nH]c2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1

HCID11631329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52245acd314c4931b6417548608fd7ef
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

[Br:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]2[nH:7][c:8](=[O:11])[nH:9][c:10]12.[CH2:28]([CH2:29][O:30][CH3:31])[O:32][CH3:33].[CH3:76][CH2:77][OH:78].[F:16][c:17]1[cH:18][c:19]([B:25]([OH:26])[OH:27])[cH:20][c:21]([F:24])[c:22]1[F:23].[OH2:34].[Pd:35]([Cl:36])[Cl:37].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[c:2]1(-[c:19]2[cH:18][c:17]([F:16])[c:22]([F:23])[c:21]([F:24])[cH:20]2)[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[cH:5][c:6]2[nH:7][c:8](=[O:11])[nH:9][c:10]12