HRID203301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID53167

1-Methylpiperazine

C5H12N2

HCID81531

Diisopropylethylamine

C8H19N

结构：COC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID72340464

未命名化合物

PRODUCTS

生成物

结构：COC1CC(S(=O)(=O)c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID72340511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32530c5dd7ae41a5b17cf380af5684dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH3:29])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([Br:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[C:46](=[O:47])([O-:48])[O-:49].[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:30][N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[Na+:50].[Na+:51].[OH2:52]>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH3:29])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([N:34]4[CH2:33][CH2:32][N:31]([CH3:30])[CH2:36][CH2:35]4)[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1