HRID124820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID735737

1-(2-Chloro-6-fluorobenzyl)piperazine

C11H14ClFN2

结构：O=C(Cl)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

HCID22047762

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCN(Cc2c(F)cccc2Cl)CC1

HCID57455831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7df15e82ded4433eae076b8e4aa5da69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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