HRID213191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID11208

Oxirane, 2,2-dimethyl-

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CNC3)ccc1-2

HCID58204076

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CC(C)(C)O)C3)ccc1-2

HCID58203808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca3ebef0d2804b4eb794894279d73a02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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