HRID134341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID303508

1,4-Butanesultam

C4H9NO2S

HCID3280088

未命名化合物

结构：COc1c2n(c3c(C(C)Cl)nn(Cc4ccc(F)cc4)c(=O)c13)CCN(C)C2=O

HCID68866339

未命名化合物

PRODUCTS

生成物

结构：COc1c2n(c3c(C(C)N4CCCCS4(=O)=O)nn(Cc4ccc(F)cc4)c(=O)c13)CCN(C)C2=O

HCID68868058

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc7712bd95234300a266a1a964e8e179
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

[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:9][Si:10]([N-:11][Si:12]([CH3:13])([CH3:14])[CH3:15])([CH3:16])[CH3:17].[F:19][c:20]1[cH:21][cH:22][c:23]([CH2:24][n:25]2[n:26][c:27]([CH:43]([CH3:44])[Cl:45])[c:28]3[c:29]([c:30]2=[O:31])[c:32]([O:41][CH3:42])[c:33]2[n:34]3[CH2:35][CH2:36][N:37]([CH3:40])[C:38]2=[O:39])[cH:46][cH:47]1.[Li+:18].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[S:1]1(=[O:7])(=[O:8])[NH:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[S:1]1(=[O:7])(=[O:8])[N:2]([CH:43]([c:27]2[n:26][n:25]([CH2:24][c:23]3[cH:22][cH:21][c:20]([F:19])[cH:47][cH:46]3)[c:30](=[O:31])[c:29]3[c:28]2[n:34]2[c:33]([c:32]3[O:41][CH3:42])[C:38](=[O:39])[N:37]([CH3:40])[CH2:36][CH2:35]2)[CH3:44])[CH2:3][CH2:4][CH2:5][CH2:6]1