HRID1562051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

HCID11020520

1-CHLORO-4-HYDROXYISOQUINOLINE-3-CARBOXYLIC ACID

C10H6ClNO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCNC(=O)c1nc(Cl)c2ccccc2c1O

HCID86595472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ffbd57584f1428d9ca4d4b4cf0a99ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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