HRID294152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID223

Ammonia ion (NH4+)

H4N+

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID7381

4-tert-Butylcatechol

C10H14O2

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID498716

未命名化合物

HCID12541527

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

HCID76141602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bfef942f5984fccb69f595476c2db14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:10]([c:11]1[cH:12][c:13]([OH:14])[c:15]([OH:18])[cH:16][cH:17]1)([CH3:19])([CH3:20])[CH3:21].[C:6](#[N:7])[BH3-:8].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([CH2:37][CH2:38][Br:39])[cH:35][cH:36]1.[CH3:2][C:3](=[O:4])[O-:5].[CH3:41][OH:42].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[ClH:40].[NH4+:1].[Na+:9].[O:43]1[CH2:44][CH2:45][O:46][CH2:47][CH2:48]1>>[ClH:40].[NH2:7][CH:29]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:31]1[cH:32][cH:33][c:34]([CH2:37][CH2:38][Br:39])[cH:35][cH:36]1