HRID2123416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID79706

Benzenepropanoic acid, 4-hydroxy-, methyl ester

C10H12O3

HCID18318997

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(OCCN(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

HCID22949958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5762ae9e48274193a745cf0f60d6c210
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

[Cl:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([N:22]([CH3:23])[CH2:24][CH2:25][OH:26])[c:27]2[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]2)[cH:19][cH:20]1.[O:53]=[C:54]([O:55][CH:56]([CH3:57])[CH3:58])[N:59]=[N:60][C:61]([O:62][CH:63]([CH3:64])[CH3:65])=[O:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1)[CH2:25][CH2:24][N:22]([CH:21]([c:18]1[cH:17][cH:16][c:15]([Cl:14])[cH:20][cH:19]1)[c:27]1[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]1)[CH3:23]