HRID186533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：COC(=O)Cc1ccc(C#Cc2cc(OC(C)C)c3c(c2)C(C)(C)CCC3N(C)C2CC2)cc1

HCID57424256

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)Oc1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1C(N(C)C1CC1)CCC2(C)C

HCID21107176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-65b71d20299244b585cdf6733dc37c9c
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

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