HRID86547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID12019

3-Pentanamine

C5H13N

HCID81531

Diisopropylethylamine

C8H19N

结构：CCc1cc(C2OC(n3cnc4c(Cl)nc(Cl)nc43)C(OC(C)=O)C2OC(C)=O)no1

HCID23448881

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C2OC(n3cnc4c(NC(CC)CC)nc(Cl)nc43)C(OC(C)=O)C2OC(C)=O)no1

HCID88013414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b33fd4d45cc542da9369a19348b333a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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