HRID122450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID14041

Propanedioic acid, 2-(acetylamino)-, 1,3-diethyl ester

C9H15NO5

结构：C=Cc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1

HCID59174909

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccc(-c2nc3ccc(C4(c5ccccc5)CC4)nc3s2)c(F)c1)(NC(C)=O)C(=O)OCC

HCID67111679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10b3e492438c4207bd6a7236c1750441
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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