HRID2137492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID72297468

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID72297372

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4a63479c0f7248518911f5858c2d80a1
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

[CH3:3][O:4][C:5]([c:6]1[cH:7][n:8][cH:9][c:10]([CH2:12][N:13]2[c:14]3[c:15]([cH:42][c:43]([CH3:50])[c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)[CH:16]([N:20]([c:21]3[n:22][n:23][n:24]([CH3:26])[n:25]3)[CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:17][CH2:18][CH2:19]2)[cH:11]1)=[O:51].[CH3:53][OH:54].[ClH:52].[Na+:2].[OH-:1]>>[ClH:52].[O:4]=[C:5]([c:6]1[cH:7][n:8][cH:9][c:10]([CH2:12][N:13]2[c:14]3[c:15]([cH:42][c:43]([CH3:50])[c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]3)[CH:16]([N:20]([c:21]3[n:22][n:23][n:24]([CH3:26])[n:25]3)[CH2:27][c:28]3[cH:29][c:30]([C:38]([F:39])([F:40])[F:41])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]3)[CH2:17][CH2:18][CH2:19]2)[cH:11]1)[OH:51]