HRID676123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID947

Nitrogen

HCID7761

Diethyl propanedioate

C7H12O4

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ccnc3nc(Cl)ccc23)cc1

HCID86615485

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)c1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ccnc2n1

HCID67250853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29f91e97ece54ad79cafe63889460fdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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