HRID197118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID5062348

未命名化合物

HCID11344007

N-Methoxy-N-methylpropionamide

C5H11NO2

结构：Cc1cccc(-c2cc(C)c(-c3c(C)nc4ccc(C)nn34)s2)n1

HCID68841674

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)c1cc(C)nn2c(-c3sc(-c4cccc(C)n4)cc3C)c(C)nc12

HCID68840084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef16d0442c384913a57487061c680c24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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