HRID675323

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6341

Ethanamine

C2H7N

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：Cc1c(F)cc(C(=O)NC2CC2)cc1-n1ccnc(NC(C)(C)c2ccccc2OCCCl)c1=O

HCID66689625

未命名化合物

PRODUCTS

产物

反应SMILES：CCNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)cc(F)c2C)c1=O

HCID66689604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-01ec8f8a61cb41469160c843cdc3908c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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