HRID207202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24813

Phosphoric trichloride

Cl3OP

HCID73874

3,4-Methylenedioxyphenethylamine

C9H11NO2

HCID74654

p-Bromophenylacetic acid

C8H7BrO2

结构：CC(C)(C)OC(=O)N1CCc2cc3c(cc2C1Cc1ccc(Br)cc1)OCO3

HCID59744265

未命名化合物

PRODUCTS

生成物

HCID69070692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42392405a0e14137a46c9dbef011e96a
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

[Br:42][c:43]1[cH:44][cH:45][c:46]([CH2:47][C:48]([OH:49])=[O:50])[cH:51][cH:52]1.[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([CH2:21][c:22]2[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH2:17]1)[O:18][CH2:19][O:20]3)([CH3:5])([CH3:6])[CH3:7].[CH2:66]([N:67]([CH2:68][CH3:69])[CH2:70][CH3:71])[CH3:72].[CH3:63][C:64]#[N:65].[ClH:29].[O:30]1[c:31]2[cH:32][cH:33][c:34]([CH2:35][CH2:36][NH2:37])[cH:38][c:39]2[O:40][CH2:41]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[P:53]([Cl:54])([Cl:55])([Cl:56])=[O:57]>>[N:8]1=[C:9]([CH2:21][c:22]2[cH:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[c:10]2[cH:11][c:12]3[c:13]([cH:14][c:15]2[CH2:16][CH2:17]1)[O:18][CH2:19][O:20]3