HRID97469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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

HCID11608412

6-ethyl-2-methylimidazo[1,2-b]pyridazin-3-sulfonamide

C9H12N4O2S

PRODUCTS

生成物

结构：CCc1ccc2nc(C)c(S(=O)(=O)NC(=O)Nc3nc(OC)cc(OC)n3)n2n1

HCID23028127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ea3a6ff4f848b5bb422d2183754387
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

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