HRID88118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

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

HCID66831937

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(CC2CCCCC2)C1=O

HCID66831952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d92c32901c44139b2ce2d19e5bb1378
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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