HRID1547813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID813

Potassium cation

K+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6503

Tromethamine

C4H11NO3

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID19660

Carbonate

CO3-2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID59473773

未命名化合物

PRODUCTS

生成物

HCID59473803

4-Cyclopropyl-2-fluoro-6-methylbenzamide

C11H12FNO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d9184106be04bc7bc03f0ee22e05dbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[NH2:8])[c:9]([CH3:11])[cH:10]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH2:67][CH3:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:13]1([B:16]([OH:17])[OH:18])[CH2:14][CH2:15]1.[CH:19]1([P:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[K+:50].[K+:51].[NH2:38][C:39]([CH2:40][OH:41])([CH2:42][OH:43])[CH2:44][OH:45].[NH4+:52].[OH-:53].[OH2:61]>>[c:2]1([CH:13]2[CH2:14][CH2:15]2)[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[NH2:8])[c:9]([CH3:11])[cH:10]1