HRID2149190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID77379

5-Chloro-1H-indole-3-ethylamine

C10H11ClN2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID3373117

1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid

C12H13NO4

PRODUCTS

生成物

结构：COc1ccc(N2CCC(C(=O)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1

HCID66832008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bf9962d951745f797170eaab38ddaa2
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

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