HRID286356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID21963176

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1

HCID21963341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-703af7bd1d234eabad9c1dbf9860e4b6
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][C:33]([C:34](=[O:35])[Cl:36])([CH3:37])[CH3:38].[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([NH2:24])[cH:22][cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[n:2][c:3]([N:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([NH:24][C:34]([C:33]([CH3:32])([CH3:37])[CH3:38])=[O:35])[cH:22][cH:23]3)[CH2:14][CH2:15]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2