HRID1563182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID61140

n-Butyl chloroformate

C5H9ClO2

结构：CCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1C

HCID19939752

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Nc1cnc2c(nc(CCC)n2Cc2ccc(-c3ccccc3S(=O)(=O)NC(=O)OCc3ccccc3)cc2)c1C

HCID9917399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aea34beb8f4d4f30b234d1bd1302ba38
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[NH:8][C:9]([CH2:10][CH2:11][CH3:12])=[O:13])[n:14]([CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]3[c:28]([S:33](=[O:34])(=[O:35])[NH2:36])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[c:15]([CH2:17][CH2:18][CH3:19])[n:16]2.[Cl:37][C:38](=[O:39])[O:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:48][C:49]([O:50][CH2:51][CH2:52][CH2:53][CH3:54])=[O:55]>>[CH3:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[NH:8][C:9]([CH2:10][CH2:11][CH3:12])=[O:13])[n:14]([CH2:20][c:21]1[cH:22][cH:23][c:24](-[c:27]3[c:28]([S:33](=[O:34])(=[O:35])[NH:36][C:38](=[O:39])[O:40][CH2:41][c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[c:15]([CH2:17][CH2:18][CH3:19])[n:16]2