HRID181177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID22258323

未命名化合物

HCID22258325

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(CNC(=S)NC2CCc3cc(OC)ccc3C2Cc2ccccc2)cc1OC

HCID22258319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6401695e41cb4177b09943c3e47e0190
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

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