HRID687699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID19660

Carbonate

CO3-2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(NC1(C(=O)O)COC1)OCC1c2ccccc2-c2ccccc21

HCID67951168

未命名化合物

结构：Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3N)no1

HCID77464833

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)CCC3NC(=O)C2(NC(=O)OCC3c4ccccc4-c4ccccc43)COC2)no1

HCID68296803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75507e945b4848759714ec004b0c85dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[Cl:49][c:50]1[cH:51][c:52]([F:72])[c:53](-[c:66]2[n:67][o:68][c:69]([CH3:71])[n:70]2)[c:54](-[c:56]2[cH:57][c:58]3[c:62]([cH:63][cH:64]2)[CH:61]([NH2:65])[CH2:60][CH2:59]3)[cH:55]1.[ClH:26].[K+:73].[K+:74].[O-:75][C:76]([O-:77])=[O:78].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[OH2:38].[OH2:84].[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][C:19]1([C:23](=[O:24])[OH:25])[CH2:20][O:21][CH2:22]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][C:19]1([C:23](=[O:24])[NH:65][CH:61]3[CH2:60][CH2:59][c:58]4[cH:57][c:56](-[c:54]5[c:53](-[c:66]6[n:67][o:68][c:69]([CH3:71])[n:70]6)[c:52]([F:72])[cH:51][c:50]([Cl:49])[cH:55]5)[cH:64][cH:63][c:62]43)[CH2:20][O:21][CH2:22]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1