HRID194309

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

HCID11391512

未命名化合物

PRODUCTS

生成物

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

HCID11331585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-562f1b67d5db416b8e77aac66efec321
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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.[CH2:66]([N:67]=[C:68]=[N:69][CH2:70][CH2:71][CH2:72][N:73]([CH3:74])[CH3:75])[CH3:76].[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[ClH:65].[NH2:35][c:36]1[cH:37][c:38]([C:50]([F:51])([F:52])[F:53])[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:87]=[CH:88][N:89]([CH3:90])[CH3:91].[OH2:54].[OH2:86].[OH:55][n:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]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[cH:37][c:38]([C:50]([F:51])([F:52])[F:53])[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