HRID662988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

结构：COC(=O)CCCCCOc1ccc2nc(S)n(-c3ccc(C)cc3)c2c1

HCID178500330

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCOc1ccc2nc(SCc3ccccc3)n(-c3ccc(C)cc3)c2c1

HCID10162512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1263bcc32a82425bae6a39b8e4f32af8
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:36](=[O:37])([O-:38])[OH:39].[CH2:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[Br:35].[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:16]([SH:18])[n:17]2)[cH:26]1)=[O:27].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[K+:40]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][c:10]1[cH:11][cH:12][c:13]2[c:14]([n:15](-[c:19]3[cH:20][cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[c:16]([S:18][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:17]2)[cH:26]1)=[O:27]