HRID2341935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID10945667

Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester

C13H13N3O4

结构：COC(=O)c1ccc(NN=C2CCCC2)cc1S(N)(=O)=O

HCID15300841

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NN=C2CCCC2)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

HCID15300842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6a7663bbde94a8db8a3bb1988528e42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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