HRID1148816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6372

Chlorodifluoromethane

CHClF2

HCID8071

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

反应SMILES：COc1ccc(CCNC(=O)C(=CO)c2ccc(Cl)cc2)cc1OC

HCID69900553

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CCNC(=O)C(=COC(F)F)c2ccc(Cl)cc2)cc1OC

HCID69900635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f3cbdb0b474f45aca782d32e601f305d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[Br-:33].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH2:12][NH:13][C:14]([C:15](=[CH:16][OH:17])[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)=[O:25])[cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:34][CH2:35][CH2:36][CH2:37][N+:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:28][CH:29]([F:30])[F:31].[ClH:32].[K+:27].[OH-:26]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:11][CH2:12][NH:13][C:14]([C:15](=[CH:16][O:17][CH:29]([F:30])[F:31])[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)=[O:25])[cH:6][cH:7][c:8]1[O:9][CH3:10]