HRID805724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID137268

2-Ethynyl pyridine

C7H5N

结构：COC(=O)NC(C(=O)NN(Cc1cccc(Br)c1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C

HCID178502247

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(C(=O)NN(Cc1cccc(C#Cc2ccccn2)c1)CC(O)(Cc1ccccc1)C(=O)NC1c2ccccc2CC1O)C(C)(C)C

HCID178502255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d4572c14a1d48839e1c9344b8f6a6bc
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

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