HRID957493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14286

1-(2-Pyridyl)-1-ethanone

C7H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID59376277

未命名化合物

HCID178524121

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(=O)N1CCC(Oc2ccccc2Cl)CC1)c1cc(-c2ccccn2)[nH]n1

HCID178523497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e10cdba9a1a414c8f0d52017b7f446d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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