HRID1114458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：COCCOc1nc(N)c2nc(OC)n(CCC3CCN(Cc4ccc(CN(C)C)cc4)CC3)c2n1

HCID59288030

未命名化合物

PRODUCTS

产物

反应SMILES：COCCOc1nc(N)c2[nH]c(=O)n(CCC3CCN(Cc4ccc(CN(C)C)cc4)CC3)c2n1

HCID25014850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-290d99b72eee4102838e66dd49388aaf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][n:18]3[c:19]4[n:20][c:21]([O:30][CH2:31][CH2:32][O:33][CH3:34])[n:22][c:23]([NH2:29])[c:24]4[n:25][c:26]3[O:27][CH3:28])[CH2:14][CH2:15]2)[cH:35][cH:36]1.[CH3:37][OH:38].[ClH:39].[NH3:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][n:18]3[c:19]4[n:20][c:21]([O:30][CH2:31][CH2:32][O:33][CH3:34])[n:22][c:23]([NH2:29])[c:24]4[nH:25][c:26]3=[O:27])[CH2:14][CH2:15]2)[cH:35][cH:36]1