HRID2125616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID541480

Ethyl 3-(methylamino)propanoate

C6H13NO2

反应SMILES：CCCCCCC(Nc1ccc(C(=O)O)cc1)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

HCID66778045

4-[(1-{5-chloro-1-[3-(trifluoromethyl)phenyl]-1H-indol-2-yl}heptyl)amino]benzoic acid

C29H28ClF3N2O2

PRODUCTS

产物

反应SMILES：CCCCCCC(Nc1ccc(C(=O)N(C)CCC(=O)OCC)cc1)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1

HCID66779238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c87c0f882d734eab9959f1899a2c03c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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