HRID2328013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(NC(=O)c3ccccc3)cc2)cs1

HCID59759251

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1ccccc1)c1ccc(OCCc2csc(SC(C)(C)C(=O)OC(C)(C)C)n2)cc1

HCID59759390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1b7a5df5e3542ac85f5365d6a7c08f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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