HRID682894

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(-c3ccccc3)c2c1

HCID178500329

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCOc1ccc2nc(SCc3ccccc3)n(-c3ccccc3)c2c1

HCID69431600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64e475ccce1648439757a27c88e9269a
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

[Br:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[C:35](=[O:36])([OH:37])[O-:38].[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][cH:22][cH:23][cH:24]3)[c:16]([SH:18])[n:17]2)[cH:25]1)=[O:26].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[K+:39]>>[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][cH:22][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:25]1)=[O:26]