HRID215325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID15483766

2-Chloro-4-methylpyridine-3-carboxylic acid

C7H6ClNO2

结构：COc1ccc(N(Cc2cccc(C#N)n2)C2CCN(C(C)CCNC(=O)OC(C)(C)C)CC2)cc1

HCID68973523

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N(Cc2cccc(C#N)n2)C2CCN(C(C)CCNC(=O)c3c(C)ccnc3Cl)CC2)cc1

HCID75037787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74c7831220544da586e2f0e7f0ce3d64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([N:18]([c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:27][c:28]2[n:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[CH2:16][CH2:17]1)=[O:36])([CH3:3])([CH3:4])[CH3:5].[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:58][c:59]1[c:60]([C:61]([OH:62])=[O:63])[c:64]([CH3:68])[cH:65][cH:66][n:67]1.[Cl:78][CH2:79][Cl:80].[F:81][C:82]([F:83])([F:84])[C:85]([OH:86])=[O:87].[O:88]=[CH:89][N:90]([CH3:91])[CH3:92].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([N:18]([c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:27][c:28]2[n:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[CH2:16][CH2:17]1)(=[O:36])[c:60]1[c:59]([Cl:58])[n:67][cH:66][cH:65][c:64]1[CH3:68]