HRID802372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCN3C(=O)C(F)(F)F)cc1

HCID11329028

7-[4-(2-Butoxyethoxy)phenyl]-2,3-dihydro-1-(2,2,2-trifluoroacetyl)-1H-1-benzazepine-4-carboxylic acid

C25H26F3NO5

HCID22938366

未命名化合物

PRODUCTS

生成物

结构：CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C(O)c4ccccn4)cc2OCC)CCN3C(=O)C(F)(F)F)cc1

HCID86595197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d71bf43f1cbf48edaec98a37e3dea6f2
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[OH:33])[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1.[CH2:65]([N:66]=[C:67]=[N:68][CH2:69][CH2:70][CH2:71][N:72]([CH3:73])[CH3:74])[CH3:75].[CH3:81][N:82]([c:83]1[cH:84][cH:85][n:86][cH:87][cH:88]1)[CH3:89].[ClH:64].[NH2:35][c:36]1[c:37]([O:50][CH2:51][CH3:52])[cH:38][c:39]([CH:42]([OH:43])[c:44]2[n:45][cH:46][cH:47][cH:48][cH:49]2)[cH:40][cH:41]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:53].[OH2:90].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:35][c:36]2[c:37]([O:50][CH2:51][CH3:52])[cH:38][c:39]([CH:42]([OH:43])[c:44]4[n:45][cH:46][cH:47][cH:48][cH:49]4)[cH:40][cH:41]2)[CH2:22][CH2:23][N:24]3[C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[cH:13][cH:14]1