HRID124480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

4 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

7 次

HCID28123

Tetrahydroborate

H4B-

HCID114853

Cerium(3+)

Ce+3

结构：Cc1ccc(-c2cc(C(=O)C=Cc3ccc(C(=O)O)cc3)cc(C(C)(C)C)c2OCC(C)C)cc1

HCID67020745

未命名化合物

PRODUCTS

生成物

HCID67020654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ca957a3a7b644cfbe196134438e4ae8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BH4-:47].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:23]([CH:24]=[CH:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)=[O:35])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15].[CH3:51][OH:52].[Ce+3:44].[Cl-:43].[Cl-:45].[Cl-:46].[Cl-:49].[NH4+:50].[Na+:48].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:23]([CH:24]=[CH:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[OH:35])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15]