HRID2131325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6329

Methylamine

CH5N

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(C(=O)NC2CC2)cc1-n1ccnc(NC2(c3ccccc3OCCCl)CC2)c1=O

HCID66689514

未命名化合物

PRODUCTS

生成物

结构：CNCCOc1ccccc1C1(Nc2nccn(-c3cc(C(=O)NC4CC4)ccc3C)c2=O)CC1

HCID25143622

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35ad26aecc5e4c3c90846d275e064af6
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

[CH3:35][NH2:36].[CH3:37][CH2:38][O:39][CH2:40][CH3:41].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:34])[n:17](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]5[CH2:28][CH2:29]5)[cH:30][cH:31][c:32]4[CH3:33])[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48]>>[CH2:2]([CH2:3][O:4][c:5]1[c:6]([C:11]2([NH:14][c:15]3[c:16](=[O:34])[n:17](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[NH:26][CH:27]5[CH2:28][CH2:29]5)[cH:30][cH:31][c:32]4[CH3:33])[cH:18][cH:19][n:20]3)[CH2:12][CH2:13]2)[cH:7][cH:8][cH:9][cH:10]1)[NH:36][CH3:35]