HRID1240480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID464

Hippuric acid

C9H9NO3

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

结构：Clc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1

HCID18426158

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N(CC1CCN(Cc2ccc(Cl)cc2)CC1)CC(c1ccccc1)c1ccccc1)c1ccccc1

HCID18426143

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cedfb90c756945cabe1416f63b41ee22
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

[C:1]([CH2:2][NH:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)(=[O:12])[OH:13].[Cl:48][c:49]1[cH:50][cH:51][c:52]([CH2:53][N:54]2[CH2:55][CH2:56][CH:57]([CH2:60][NH:61][CH2:62][CH:63]([c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)[c:70]3[cH:71][cH:72][cH:73][cH:74][cH:75]3)[CH2:58][CH2:59]2)[cH:76][cH:77]1.[Cl:78][CH2:79][Cl:80].[OH:38][n:39]1[c:40]2[c:41]([cH:42][cH:43][cH:44][cH:45]2)[n:46][n:47]1.[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[C:1]([CH2:2][NH:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)(=[O:13])[N:61]([CH2:60][CH:57]1[CH2:56][CH2:55][N:54]([CH2:53][c:52]2[cH:51][cH:50][c:49]([Cl:48])[cH:77][cH:76]2)[CH2:59][CH2:58]1)[CH2:62][CH:63]([c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1