HRID2130597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CNC1

HCID22347137

未命名化合物

HCID178525356

未命名化合物

PRODUCTS

生成物

结构：Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CCc2c[nH]cn2)C1

HCID178508614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3648f3b2c0c44a78734e9fea7384604
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH2:42][CH2:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH3:49].[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[ClH:38].[NH:1]1[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1.[OH:59][n:60]1[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1.[nH:28]1[cH:29][n:30][c:31]([CH2:33][CH2:34][C:35](=[O:36])[OH:37])[cH:32]1>>[N:1]1([C:35]([CH2:34][CH2:33][c:31]2[n:30][cH:29][nH:28][cH:32]2)=[O:36])[CH2:2][CH:3]([n:5]2[n:6][c:7](-[c:15]3[cH:16][cH:17][c:18]([O:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[cH:19][cH:20]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:4]1