HRID1571861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID110702

2,2-Dimethyl-1,3-dioxolane-4-carbaldehyde

C6H10O3

结构：CC(C)N1CC(c2ccc3c(c2)OCCc2sc(-c4ncnn4C(C)C)nc2-3)C1

HCID58204203

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(CC4COC(C)(C)O4)C3)ccc1-2

HCID67050576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a56af882e73494fa5033cac8f82ee98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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