HRID2142578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)C(C)c1ccc(C#Cc2cc(OC)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

HCID57424245

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C#Cc2ccc(C(C)C(=O)O)cc2)cc2c1C(N(C)C1CC1)CCC2(C)C

HCID21107129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32d1acab5ff74db191246bef4ce1dc15
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

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