HRID87879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID43156221

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

HCID66879305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad47ef6199bc4327bab21e7ced000975
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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