HRID188553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID2733373

ethyl 3-isocyanatopropanoate

C6H9NO3

HCID11538012

未命名化合物

PRODUCTS

产物

HCID11272295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b5bb73836e55498f8acdea836860e1b5
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

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