HRID1133434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID245987

2-(Benzyloxy)propanoic acid

C10H12O3

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc(NN)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O

HCID67128729

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(F)(F)F)ccc1Cn1nc(NNC(=O)C(C)OCc2ccccc2)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O

HCID67128708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0280c08c757b4a8d8372e67d6843eb4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][CH:45]([C:46](=[O:47])[OH:48])[CH3:49].[CH2:86]1[O:87][CH2:88][CH2:89][CH2:90]1.[CH3:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH2:56][CH2:57][N:58]([CH3:59])[CH3:60].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[CH:71]([N:72]([CH:73]([CH3:74])[CH3:75])[CH2:76][CH3:77])([CH3:78])[CH3:79].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:29]3[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]3)[c:10](=[O:28])[n:11]([CH2:16][c:17]3[c:18]([CH3:27])[n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[n:12][c:13]2[NH:14][NH2:15])[cH:6][cH:7]1.[OH:61][n:62]1[c:63]2[c:64]([cH:65][cH:66][cH:67][cH:68]2)[n:69][n:70]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:29]3[cH:30][cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]3)[c:10](=[O:28])[n:11]([CH2:16][c:17]3[c:18]([CH3:27])[n:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[n:12][c:13]2[NH:14][NH:15][C:46]([CH:45]([O:44][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH3:49])=[O:47])[cH:6][cH:7]1