HRID2142041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(C(=O)O)c2)nc1OC

HCID9892985

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(-c2nc(NS(=O)(=O)c3ccc(C)cn3)c(Oc3ccccc3OC)c(OC)n2)ccn1

HCID54456881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4721f23774654500b5679b6eb59412ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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