HRID299388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID57516850

1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl chloride

C11H7ClF2O3

结构：Cc1cnc(N)nc1-c1cccc(C(=O)OC(C)(C)C)c1

HCID57856193

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)OC(C)(C)C)c1

HCID57856175

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6c06e72dd50437eb0bd8e16a866a605
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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