HRID137424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID4574913

未命名化合物

HCID11401394

1-Boc-4-methylpiperazine

C10H20N2O2

结构：CC1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(Br)c2ccccc12

HCID178429927

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12

HCID178429938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-758d640f6d864e78bf5e768e3717d393
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:1][c:2]1[cH:3][cH:4][c:5]([S:12](=[O:13])(=[O:14])[N:15]2[CH:16]([CH3:32])[CH2:17][N:18]([c:21]3[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:19][CH2:20]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[C:33]([CH3:34])([CH3:35])([CH3:36])[O:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]1.[CH3:47][C:48]([CH3:49])([O-:50])[CH3:51].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:60][CH2:61][Cl:62].[Na+:52]>>[c:2]1([N:43]2[CH2:42][CH2:41][N:40]([C:38]([O:37][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:39])[CH2:45][CH2:44]2)[cH:3][cH:4][c:5]([S:12](=[O:13])(=[O:14])[N:15]2[CH:16]([CH3:32])[CH2:17][N:18]([c:21]3[c:22]([C:28]([F:29])([F:30])[F:31])[cH:23][c:24]([F:27])[cH:25][cH:26]3)[CH2:19][CH2:20]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12