HRID940632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID20315

4-Morpholinamine (9CI)

C4H10N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID66591548

未命名化合物

HCID66591918

1-(4-Morpholinyl)-1H-1,2,3-triazole-4-carboxylic acid

C7H10N4O3

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cn(N2CCOCC2)nn1

HCID44235026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f2e99774b314523bb50df562d373eb7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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