HRID172952

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(O)CCCNC3)cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c12

HCID58529441

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)N1CCCC(O)(c2cc(-c3ccc4cn(Cc5ccccc5)nc4c3)c3c(N)ncnn23)C1

HCID58529359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04bb4a07147b4cc08782023e39f1bc89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:34][N:35]([CH3:36])[CH2:37][C:38]([OH:39])=[O:40].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:18]1[cH:19][cH:20][c:21]3[cH:22][n:23]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:24][c:25]3[cH:26]1)[cH:9][c:10]2[C:11]1([OH:17])[CH2:12][NH:13][CH2:14][CH2:15][CH2:16]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH:41][n:42]1[c:43]2[c:44]([cH:45][cH:46][cH:47][cH:48]2)[n:49][n:50]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:18]1[cH:19][cH:20][c:21]3[cH:22][n:23]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:24][c:25]3[cH:26]1)[cH:9][c:10]2[C:11]1([OH:17])[CH2:12][N:13]([C:38]([CH2:37][N:35]([CH3:34])[CH3:36])=[O:39])[CH2:14][CH2:15][CH2:16]1