HRID689591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID73888

Butanoic acid, 4-chloro-4-oxo-, methyl ester

C5H7ClO3

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1

HCID57403052

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(=O)Nc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1

HCID67111772

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fd06c5954c547df8526ffb65c2668ad
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

[CH2:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH:32]([CH3:33])[CH3:34])[CH3:35].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:36][C:37]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH3:43])=[O:44].[Cl:50][CH2:51][Cl:52].[F:1][c:2]1[cH:3][c:4]([NH2:26])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1>>[F:1][c:2]1[cH:3][c:4]([NH:26][C:37]([CH2:38][CH2:39][C:40](=[O:41])[O:42][CH3:43])=[O:44])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1