HRID150572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID23505570

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1Nc2ccc(C(=O)NCc3cccnc3)cc2CN(C)C1=O

HCID23388466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80418d6028d74995bf3b5b1013a32df2
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

[C:5](=[O:6])([OH:7])[c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:25]1)[CH2:13][N:14]([CH3:24])[C:15](=[O:23])[CH:16]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[NH:17]2.[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[NH2:26][CH2:27][c:28]1[cH:29][n:30][cH:31][cH:32][cH:33]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:44].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[C:5](=[O:7])([c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:25]1)[CH2:13][N:14]([CH3:24])[C:15](=[O:23])[CH:16]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[NH:17]2)[NH:26][CH2:27][c:28]1[cH:29][n:30][cH:31][cH:32][cH:33]1