HRID2137774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：Fc1ccccc1CCN1CCC(N2CCc3ccc(Br)cc32)CC1

HCID22038001

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc2c(c1)N(C1CCN(CCc3ccccc3F)CC1)CC2

HCID22037908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a05af2b05d3a4742b75a98f9eeb7a2cc
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

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