HRID807435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(CNc2cc(Nc3cnc(C#N)cn3)ncc2N)CC1

HCID59613544

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC(=O)Nc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1

HCID66746296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35ce8d2fd4194d969755243820887559
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

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