HRID2126249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID93643

Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-

C12H18N2

结构：COc1cc2ncnc(C3CCN(C(=O)Cl)CC3)c2cc1OC

HCID58770714

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(N5CCCCCC5)cc4)CC3)c2cc1OC

HCID58770813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ed8620f25704b54af2da8f86d3c966e
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

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:15]3[CH2:16][CH2:17][N:18]([C:21](=[O:22])[Cl:23])[CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:24]1([c:31]2[cH:32][cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([CH:15]3[CH2:16][CH2:17][N:18]([C:21](=[O:22])[NH:37][c:34]4[cH:33][cH:32][c:31]([N:24]5[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]5)[cH:36][cH:35]4)[CH2:19][CH2:20]3)[n:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]