HRID98433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1118

Sulfuric acid

H2O4S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID81531

Diisopropylethylamine

C8H19N

HCID82140

2-Aminoimidazole

C3H5N3

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCNCC2)c(C)c1

HCID58997074

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

HCID58997168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-680bb165efb04511a9c56919966539ad
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

[C:1](=[O:2])([n:3]1[cH:4][cH:5][n:6][cH:7]1)[n:8]1[cH:9][cH:10][n:11][cH:12]1.[CH3:33][c:34]1[c:35]([CH2:41][N:42]([CH:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[CH2:49][c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[CH:56]([CH3:57])[CH3:58])[n:36][cH:37][c:38]([CH3:40])[cH:39]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:18][c:19]1[nH:20][cH:21][cH:22][n:23]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[S:13]([OH:14])([OH:15])(=[O:16])=[O:17]>>[C:1](=[O:2])([NH:18][c:19]1[nH:20][cH:21][cH:22][n:23]1)[N:46]1[CH2:45][CH2:44][CH:43]([N:42]([CH2:41][c:35]2[c:34]([CH3:33])[cH:39][c:38]([CH3:40])[cH:37][n:36]2)[CH2:49][c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[CH:56]([CH3:57])[CH3:58])[CH2:48][CH2:47]1