HRID198333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2879

p-Cresol

C7H8O

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID70304

4-Methylphenyl carbonochloridate

C8H7ClO2

HCID166653

Hydride

H-

HCID13455385

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(OC(=O)n2c3c(c(=O)n(C4CCCCO4)c2=O)CCC3)cc1

HCID13455386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4621bacf72bd4f919aaa10ff170a947e
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

[CH3:31][c:32]1[cH:33][cH:34][c:35]([OH:36])[cH:37][cH:38]1.[CH:39]([O:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:20][C:21](=[O:22])[O:23][c:24]1[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]1.[H-:18].[Na+:19].[O:1]1[CH:2]([n:7]2[c:8](=[O:17])[nH:9][c:10]3[c:11]([c:12]2=[O:13])[CH2:14][CH2:15][CH2:16]3)[CH2:3][CH2:4][CH2:5][CH2:6]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:46]>>[O:1]1[CH:2]([n:7]2[c:8](=[O:17])[n:9]([C:21](=[O:22])[O:23][c:24]3[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]3)[c:10]3[c:11]([c:12]2=[O:13])[CH2:14][CH2:15][CH2:16]3)[CH2:3][CH2:4][CH2:5][CH2:6]1