HRID168785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID81531

Diisopropylethylamine

C8H19N

HCID21973747

未命名化合物

HCID63909651

未命名化合物

结构：COc1cc(CCc2cc(NC(=O)c3cnc(Cl)cn3)[nH]n2)cc(OC)c1

HCID178489782

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CCc2cc(NC(=O)c3cnc(N4CC(C)N(C)C(C)C4)cn3)[nH]n2)cc(OC)c1

HCID178489789

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92f2b244ddac48ec84990275d71251d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:48]([N:49]([CH:50]([CH3:51])[CH3:52])[CH:53]([CH3:54])[CH3:55])[CH3:56].[CH3:28][N:29]1[CH:30]([CH3:36])[CH2:31][NH:32][CH2:33][CH:34]1[CH3:35].[CH3:37][CH:38]1[CH2:39][NH:40][CH2:41][CH:42]([CH3:43])[N:44]1[CH2:45][C:46]#[N:47].[CH3:57][S:58]([CH3:59])=[O:60].[CH3:61][OH:62].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[nH:12][n:13][c:14]([CH2:16][CH2:17][c:18]3[cH:19][c:20]([O:26][CH3:27])[cH:21][c:22]([O:24][CH3:25])[cH:23]3)[cH:15]2)[n:6][cH:7]1>>[c:2]1([N:32]2[CH2:31][CH:30]([CH3:36])[N:29]([CH3:28])[CH:34]([CH3:35])[CH2:33]2)[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[nH:12][n:13][c:14]([CH2:16][CH2:17][c:18]3[cH:19][c:20]([O:26][CH3:27])[cH:21][c:22]([O:24][CH3:25])[cH:23]3)[cH:15]2)[n:6][cH:7]1