HRID815295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID87736

3,4,5-Trimethoxybenzylamine

C10H15NO3

结构：CC(Nc1nccc(-n2cnc3cc(-c4ccnc(Cl)n4)ccc32)n1)c1ccccc1

HCID18375992

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CNc2nccc(-c3ccc4c(c3)ncn4-c3ccnc(NC(C)c4ccccc4)n3)n2)cc(OC)c1OC

HCID178492155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df70bca43303427c80d9b9d9d85435d7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:33][O:34][c:35]1[cH:36][c:37]([CH2:38][NH2:39])[cH:40][c:41]([O:45][CH3:46])[c:42]1[O:43][CH3:44].[CH3:56][S:57]([CH3:58])=[O:59].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[ClH:32].[OH2:60].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23](-[c:25]3[n:26][c:27]([Cl:31])[n:28][cH:29][cH:30]3)[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][cH:22][c:23](-[c:25]3[n:26][c:27]([NH:39][CH2:38][c:37]5[cH:36][c:35]([O:34][CH3:33])[c:42]([O:43][CH3:44])[c:41]([O:45][CH3:46])[cH:40]5)[n:28][cH:29][cH:30]3)[cH:24]4)[n:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1