HRID2325471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)N1CCC(NC(=O)c2nc3c(C(=O)O)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

HCID11237840

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(NC(=O)c2nc3c(C(=O)OCCO)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

HCID67012776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-173aef4f63b442998d74d12319d80411
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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