HRID182541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID3780288

未命名化合物

HCID11356513

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1cc(C2CC2)nn1C(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1

HCID12043808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1986f5d428f5465fa56db9552aa1ac8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([C:16](=[O:17])[OH:18])[CH3:19])[cH:13][cH:14]1.[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[n:31]1[n:32][c:33]([CH:37]2[CH2:38][CH2:39]2)[cH:34][c:35]1[NH2:36].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[S:20]([Cl:21])([Cl:22])=[O:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH:15]([C:16](=[O:18])[NH:36][c:35]2[n:31]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:30])[n:32][c:33]([CH:37]3[CH2:38][CH2:39]3)[cH:34]2)[CH3:19])[cH:13][cH:14]1