HRID309963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1031

1-Propanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID254688

未命名化合物

HCID23005019

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1nc(NCc1ccc(-c3cccc(OCc4ccccc4)c3)cc1)n2C1OC(CO)C(O)C1O

HCID178508648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97a1d70de4204bed8b6811ad068df4bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[n:3]([CH:4]2[CH:5]([OH:6])[CH:7]([OH:8])[CH:9]([CH2:10][OH:11])[O:12]2)[c:13]2[n:14][cH:15][n:16][c:17]([NH2:20])[c:18]2[n:19]1.[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[O:28][c:29]1[cH:30][c:31](-[c:35]2[cH:36][cH:37][c:38]([CH2:41][NH2:42])[cH:39][cH:40]2)[cH:32][cH:33][cH:34]1.[CH2:52]([OH:53])[CH2:54][CH3:55].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51]>>[c:2]1([NH:42][CH2:41][c:38]2[cH:37][cH:36][c:35](-[c:31]3[cH:30][c:29]([O:28][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:34][cH:33][cH:32]3)[cH:40][cH:39]2)[n:3]([CH:4]2[CH:5]([OH:6])[CH:7]([OH:8])[CH:9]([CH2:10][OH:11])[O:12]2)[c:13]2[n:14][cH:15][n:16][c:17]([NH2:20])[c:18]2[n:19]1