HRID1204792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

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

HCID66832022

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccc1)N1CCC(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)C1=O

HCID49869042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f912c3ac988544f7bc208f622069ae4b
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

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