HRID666665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID9583

o-Chlorofluorobenzene

C6H4ClF

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID61668

Boronic acid

H3BO2

HCID12052796

5-Bromo-3,3-dimethyl-1,3-dihydro-2H-indol-2-one

C10H10BrNO

PRODUCTS

生成物

结构：CC1(C)C(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21

HCID9860775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83438cc978a24f5bb0f46d15aca8b7a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH:14]([OH:15])[OH:16].[Br:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2([CH3:12])[CH3:13].[C:25](=[O:26])([O-:27])[O-:28].[CH2:33]([CH2:34][O:35][CH3:36])[O:37][CH3:38].[Cl-:31].[Cl:17][c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[F:24].[K+:29].[K+:30].[NH4+:32].[OH2:39].[Pd:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:20]2[cH:19][c:18]([Cl:17])[c:23]([F:24])[cH:22][cH:21]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[NH:7][C:6](=[O:11])[C:5]2([CH3:12])[CH3:13]