HRID116382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID757

Glycolic acid

C2H4O3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CCN(CC)Cc1sc(-c2nc(-c3ccc(CCN)cc3)no2)cc1C

HCID67265437

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)Cc1sc(-c2nc(-c3ccc(CCNC(=O)CO)cc3)no2)cc1C

HCID67265520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ceb9e767a874b07bf6d7d88b24d7fba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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