HRID818627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID5323842

Phenol, 4-(2-aminoethyl)-2-bromo-

C8H10BrNO

结构：Cc1cccc(Nc2nc(On3nnc4ccccc43)ncc2C(N)=O)c1

HCID57472100

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Nc2nc(NCCc3ccc(O)c(Br)c3)ncc2C(N)=O)c1

HCID44422664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a34e88c7f73f464782651209972bf736
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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