HRID95820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID44515696

未命名化合物

PRODUCTS

产物

HCID44516307

4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoic acid

C25H27N7O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b96792549963455ea61b21305afe9988
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][OH:45].[Li+:47].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([NH:25][C:26]([NH:27][c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]4)=[O:38])[cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1.[OH-:46].[OH2:48].[OH2:49]>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[n:8][c:9](-[c:19]3[cH:20][cH:21][c:22]([NH:25][C:26]([NH:27][c:28]4[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:36][cH:37]4)=[O:38])[cH:23][cH:24]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[n:12]2)[CH2:5][CH2:6]1