HRID98091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID292331

4-(phenylamino)benzoic acid

C13H11NO2

HCID59559614

未命名化合物

PRODUCTS

产物

HCID59559601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b0194285a73b47f08a55cbd602919b43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:68][C:69]([F:70])([F:71])[C:72]([OH:73])=[O:74].[NH2:47][CH2:48][C:49](=[O:50])[N:51]1[CH2:52][CH2:53][N:54]([C:57]([c:58]2[c:59]([Br:66])[cH:60][cH:61][c:62]([O:64][CH3:65])[cH:63]2)=[O:67])[CH2:55][CH2:56]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1.[c:10]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1([NH:16][c:17]2[cH:18][cH:19][c:20]([C:21](=[O:23])[NH:47][CH2:48][C:49](=[O:50])[N:51]3[CH2:52][CH2:53][N:54]([C:57]([c:58]4[c:59]([Br:66])[cH:60][cH:61][c:62]([O:64][CH3:65])[cH:63]4)=[O:67])[CH2:55][CH2:56]3)[cH:24][cH:25]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1