HRID114965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID12926387

未命名化合物

HCID20201728

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1c2cc(Cl)c(Cl)cc2CC1OCc1cccc(Oc2ccccc2)n1

HCID20201710

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c1b710d35ec4004a3c6cadee8f310d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:18][CH2:19][c:20]1[n:21][c:22]([O:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:23][cH:24][cH:25]1.[CH2:40]([N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53])[CH2:54][CH2:55][CH3:56].[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[Cl:11])[CH:7]([CH:12]([CH3:13])[CH3:14])[CH:6]([OH:15])[CH2:5]2.[H-:16].[I-:39].[Na+:17].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:33]>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][c:10]1[Cl:11])[CH:7]([CH:12]([CH3:13])[CH3:14])[CH:6]([O:15][CH2:19][c:20]1[n:21][c:22]([O:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:23][cH:24][cH:25]1)[CH2:5]2