HRID160679

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+

结构：COc1cc(CCNC(=O)C(=CO)c2ccc(C)cc2)ccc1OCc1ccccc1

HCID69899452

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCNC(=O)C(=COC(F)F)c2ccc(C)cc2)ccc1OCc1ccccc1

HCID69899154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b31551560b76411c8bef80fed0f41b20
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:39].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:30][CH3:31])[cH:11][c:12]([CH2:15][CH2:16][NH:17][C:18]([C:19](=[CH:20][OH:21])[c:22]2[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)=[O:29])[cH:13][cH:14]1.[CH3:40][CH2:41][CH2:42][CH2:43][N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH3:57][O:58][CH2:59][CH2:60][O:61][CH3:62].[Cl:34][CH:35]([F:36])[F:37].[ClH:38].[K+:33].[OH-:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([O:30][CH3:31])[cH:11][c:12]([CH2:15][CH2:16][NH:17][C:18]([C:19](=[CH:20][O:21][CH:35]([F:36])[F:37])[c:22]2[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]2)=[O:29])[cH:13][cH:14]1