HRID173326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID996

Phenol

C6H6O

HCID6342

Acetonitrile

C2H3N

HCID28557

18-Crown-6

C12H24O6

HCID3826051

未命名化合物

HCID5360545

Sodium

HCID13041334

未命名化合物

PRODUCTS

生成物

HCID13041337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-782e2ca65e874736a507f9f9f2c8e759
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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