HRID2126599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6329

Methylamine

CH5N

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3cc(F)ccc3OCCCl)CC2)c1=O

HCID66689178

未命名化合物

PRODUCTS

生成物

结构：CNCCOc1ccc(F)cc1C1(Nc2nccn(-c3cc(C(=O)NC4CC4)ccc3C)c2=O)CC1

HCID66689761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5aedb3c1a814edd83a51324998506b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:36][NH2:37].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:12]2([NH:15][c:16]3[c:17](=[O:35])[n:18](-[c:22]4[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]5[CH2:29][CH2:30]5)[cH:31][cH:32][c:33]4[CH3:34])[cH:19][cH:20][n:21]3)[CH2:13][CH2:14]2)[cH:7][c:8]([F:11])[cH:9][cH:10]1.[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:12]2([NH:15][c:16]3[c:17](=[O:35])[n:18](-[c:22]4[cH:23][c:24]([C:25](=[O:26])[NH:27][CH:28]5[CH2:29][CH2:30]5)[cH:31][cH:32][c:33]4[CH3:34])[cH:19][cH:20][n:21]3)[CH2:13][CH2:14]2)[cH:7][c:8]([F:11])[cH:9][cH:10]1)[NH:37][CH3:36]