HRID176841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7344

Ethyl lactate

C5H10O3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CC1CN(C(=O)COc2ccc(Cl)cc2O)C(C)CN1Cc1ccc(F)cc1

HCID21973419

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)Oc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID178472167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f55cbdf5d084cdaaef6c29087aa054a
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

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