HRID206479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID847768

3-morpholin-4-ylaniline

C10H14N2O

HCID66711275

未命名化合物

PRODUCTS

产物

反应SMILES：c1cncc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)c1

HCID66711698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-daa2bd6910a344e7b5eea4b606364399
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

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