HRID1232780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID13569

1-Butanol, 4-chloro-

C4H9ClO

HCID75555

未命名化合物

结构：CCOC(=O)c1ccc(-c2ccc(O)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID57552328

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCCCCl)c(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2)cc1

HCID66856889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae825a078aa845239739886009a85347
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:66][CH2:67][CH2:68][CH2:69][CH2:70][OH:71].[O:52]=[C:53]([O:54][CH:55]([CH3:56])[CH3:57])[N:58]=[N:59][C:60]([O:61][CH:62]([CH3:63])[CH3:64])=[O:65].[O:72]1[CH2:73][CH2:74][CH2:75][CH2:76]1.[OH2:77].[OH:1][c:2]1[c:3](-[c:19]2[cH:20][c:21]3[c:26]([cH:27][cH:28]2)[C:25]([CH3:29])([CH3:30])[CH2:24][CH2:23][C:22]3([CH3:31])[CH3:32])[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1.[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[O:1]([c:2]1[c:3](-[c:19]2[cH:20][c:21]3[c:26]([cH:27][cH:28]2)[C:25]([CH3:29])([CH3:30])[CH2:24][CH2:23][C:22]3([CH3:31])[CH3:32])[cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1)[CH2:70][CH2:69][CH2:68][CH2:67][Cl:66]