HRID2150694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID28486

Lithium ion

Li+

2 次

HCID30165

Iodide ion

I-

HCID271408

tert-butyl 4-cyanobenzoate

C12H13NO2

HCID3260420

未命名化合物

4 次

HCID178418750

未命名化合物

HCID178477789

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)c1ccc(C2(N)CC2)cc1

HCID59305811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7e025927ef404eb8961d0a51673e7374
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

[C:8](#[N:9])[c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1.[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH3:1][CH:2]([CH3:3])[O-:4].[CH3:23][CH2:24][Zn:25][CH2:26][CH3:27].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:43][Ti+3:44].[CH3:45][CH:46]([CH3:47])[O-:48].[CH3:49][CH:50]([CH3:51])[O-:52].[I-:6].[Li+:5].[Li+:7].[OH2:53]>>[CH2:1]1[CH2:2][C:8]1([NH2:9])[c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1