HRID1205845

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

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID15047268

4-(5-Fluoro-1H-indol-3-yl)butanoic acid

C12H12FNO2

HCID18923874

1-(7-Methoxy-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine

C10H13NO3

PRODUCTS

生成物

结构：COc1ccc2c(c1)OC(CNCCCCc1c[nH]c3ccc(F)cc13)CO2

HCID18923877

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3345fe2cdb784ffc9c14b867f0dc9e74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:28][CH:29]([N:30]=[C:31]=[N:32][CH:33]([CH3:34])[CH3:35])[CH3:36].[CH3:38][O:39][c:40]1[cH:41][cH:42][c:43]2[c:44]([cH:51]1)[O:45][CH:46]([CH2:49][NH2:50])[CH2:47][O:48]2.[ClH:37].[F:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][CH2:12][CH2:13][C:14]([OH:15])=[O:16])[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:17].[OH:18][n:19]1[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[n:26][n:27]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([CH2:11][CH2:12][CH2:13][CH2:14][NH:50][CH2:49][CH:46]3[O:45][c:44]4[c:43]([cH:42][cH:41][c:40]([O:39][CH3:38])[cH:51]4)[O:48][CH2:47]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1