HRID290705

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID81531

Diisopropylethylamine

C8H19N

结构：N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCNCC3)cc2C2=CCCCC2)n1

HCID178510382

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)N1CCC(c2ccc(NC(=O)c3nc(C#N)c[nH]3)c(C3=CCCCC3)c2)CC1

HCID178453786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-435415ac57c44d1597a19337c79846e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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