HRID301153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

2 次

HCID3283

Diethyl Ether

C4H10O

HCID166653

Hydride

H-

结构：CCOC(=O)c1c(C(C)C)nc2cc(C)nn2c1-c1ccc(F)cc1

HCID14994686

未命名化合物

HCID16686348

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2nc(C(C)C)c(CO)c(-c3ccc(F)cc3)n2n1

HCID14994687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8295a0a0b7dd4f809d27fe237fc65409
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

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