HRID1152511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID2734626

2,4-Dimethoxybenzenesulfonyl chloride

C8H9ClO4S

结构：CCOc1ncccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)Nc2cc(F)c(C#N)cc21

HCID67087686

未命名化合物

PRODUCTS

生成物

结构：CCOc1ncccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2cc(F)c(C#N)cc21

HCID67087741

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25225b09604240d88b4e3e7d2da216f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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