HRID2154654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID140059

4-Ethoxybenzoyl chloride

C9H9ClO2

结构：CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1

HCID21897553

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C(=O)N2CCC(Oc3ncnc4c3cnn4-c3ccc(S(C)(=O)=O)cc3F)CC2)cc1

HCID21897676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-284921cc547e444d8679cf55e5c216f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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