HRID187126

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCCCC(C=Cc1ccc(C(=O)OC)cc1)c1ccc2c(c1)N(C)CCC2(C)C

HCID69215730

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(C=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)N(C)CCC2(C)C

HCID69216926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a764e884fbdc45989b665439b9aef140
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

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]2[cH:19][cH:20][c:21]3[c:26]([cH:27]2)[N:25]([CH3:28])[CH2:24][CH2:23][C:22]3([CH3:29])[CH3:30])[cH:8][cH:9]1)=[O:31].[CH3:41][OH:42].[ClH:35].[Li+:34].[OH-:33].[OH2:32].[OH2:43]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH:10]=[CH:11][CH:12]([CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[c:18]2[cH:19][cH:20][c:21]3[c:26]([cH:27]2)[N:25]([CH3:28])[CH2:24][CH2:23][C:22]3([CH3:29])[CH3:30])[cH:8][cH:9]1)[OH:31]