HRID1224512

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID166653

Hydride

H-

结构：CCOC(=O)C1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID10069740

未命名化合物

HCID16686348

未命名化合物

PRODUCTS

生成物

结构：O=CC1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID9975721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd0bcfe0c6a54b40a499b93645a1be92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:31]([Al+:32][CH2:33][CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39].[CH3:40][OH:41].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[Cl-:42].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([O:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:16][CH2:17]2)[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:6][cH:7]1.[H-:30].[NH4+:43]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([O:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][CH:15]([CH:18]=[O:19])[CH2:16][CH2:17]2)[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:6][cH:7]1