HRID175176

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CN(CCO)C(=O)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12

HCID21984938

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2c(C(=O)C(C)(C)C)oc3nc(-c4ccccc4Cl)c(-c4ccc(Cl)cc4)cc23)C(=O)C1=O

HCID10437540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caa277f8483c4993966c8f8c448c336f
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

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[Cl:1][c:2]1[c:3](-[c:8]2[c:9](-[c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[cH:10][c:11]3[c:12]([n:13]2)[o:14][c:15]([C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:16]3[NH:17][C:18]([C:19](=[O:20])[N:21]([CH3:22])[CH2:23][CH2:24][OH:25])=[O:26])[cH:4][cH:5][cH:6][cH:7]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9](-[c:33]3[cH:34][cH:35][c:36]([Cl:39])[cH:37][cH:38]3)[cH:10][c:11]3[c:12]([n:13]2)[o:14][c:15]([C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[c:16]3[N:17]2[C:18](=[O:26])[C:19](=[O:20])[N:21]([CH3:22])[CH2:23][CH2:24]2)[cH:4][cH:5][cH:6][cH:7]1