HRID2323824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID102884

tert-Butyl prolinate

C9H17NO2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：O=C(O)c1ccc(-c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)cc1

HCID57651923

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)c1ccc(-c2ccc(NC(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)cn2)cc1

HCID66738325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-393c992e6d774dc1ad906c2fd01f3c0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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