HRID161688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2438

BRL-54443

C14H18N2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9588

Benzenesulfonyl chloride, 4-fluoro-

C6H4ClFO2S

PRODUCTS

生成物

结构：CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)c4ccc(F)cc4)cc23)CC1

HCID10157101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90b602998c9c46089fbe7791e2dd2b08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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