HRID1129303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8857

Ethyl Acetate

C4H8O2

HCID89764

2-Pentyne, 1-chloro-

C5H7Cl

HCID3826051

未命名化合物

HCID21079850

未命名化合物

PRODUCTS

产物

HCID11518764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-81f0bec6a9f140b1a9e3aab180f9f219
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH2:34]([C:35]#[C:36][CH2:37][CH3:38])[Cl:39].[CH3:31][O-:32].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][OH:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[c:13](-[c:18]3[cH:19][c:20]([O:25][CH3:26])[c:21]([OH:24])[cH:22][cH:23]3)[cH:14][cH:15][cH:16][cH:17]2)[O:27][CH2:28][C:29]#[CH:30])[cH:6][cH:7]1.[Na+:33]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([C:9](=[O:10])[NH:11][c:12]2[c:13](-[c:18]3[cH:19][c:20]([O:25][CH3:26])[c:21]([O:24][CH2:34][C:35]#[C:36][CH2:37][CH3:38])[cH:22][cH:23]3)[cH:14][cH:15][cH:16][cH:17]2)[O:27][CH2:28][C:29]#[CH:30])[cH:6][cH:7]1