HRID158547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID137690

2-Nitrophenyl isothiocyanate

C7H4N2O2S

HCID13587975

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCC(N(Cc2ccccc2)C(=S)Nc2ccccc2[N+](=O)[O-])CC1

HCID13587976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbf24dac6d5c49c599d9538f5f7ae32b
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

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