HRID959883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1ncnn2c(C3=CCNCC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

HCID58529759

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CC=C(c2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)CC1

HCID58529475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61a16a31b26745c9a6cc849092371edc
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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