HRID158326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

结构：COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccccc3Cl)CC1)NCC2

HCID22406704

未命名化合物

PRODUCTS

生成物

结构：COCCN1CCc2cc(OC)c(OCc3ccccc3)cc2C1C1(c2ccccc2Cl)CC1

HCID22406810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91c4c91888b54ca587d9f76a221f30ca
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

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