HRID178087

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

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID64860

3,4,5-Trimethoxyhydrocinnamic acid

C12H16O5

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID762703

1-[2-(2-fluorophenoxy)ethyl]piperazine

C12H17FN2O

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC

HCID24738730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b63cb3ae04c40bf97378075ce0d6017
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

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