HRID105706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID1049

Pyridine

C5H5N

HCID3352185

Neopentyl chloroformate

C6H11ClO2

结构：Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N

HCID11393973

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N

HCID17973416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e537b89dc14c4678b5d8ac1764ff348d
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:30]([O:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])(=[O:37])[Cl:38].[ClH:1].[ClH:2].[ClH:3].[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10](-[c:17]3[n:18][c:19]([NH2:25])[c:20]([NH2:24])[c:21]([NH2:23])[n:22]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:26][cH:27][cH:28][cH:29]1.[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10](-[c:17]3[n:18][c:19]([NH2:25])[c:20]([NH:24][C:30]([O:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[c:21]([NH2:23])[n:22]3)[c:11]3[c:12]2[n:13][cH:14][cH:15][cH:16]3)[cH:26][cH:27][cH:28][cH:29]1