HRID305565

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

HCID19660

Carbonate Ion

CO3-2

HCID61668

Boronic acid

H3BO2

HCID12052796

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

C10H10BrNO

HCID178420554

未命名化合物

PRODUCTS

产物

HCID9860775

5-(3-Chloro-4-fluoro-phenyl)-3,3-dimethyl1,3-dihydro-indol-2-one

C16H13ClFNO

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fd19ab96cd354b2399e43251545e0cdd
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

[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].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[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]