HRID162398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1133

Thioglycolic acid

C2H4O2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

结构：CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21

HCID68674244

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCNCCc3cccnc3)ccc21

HCID68672873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c20c9847d7541948bc262c857fde716
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Li+:1].[N+:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]1[S:20](=[O:21])(=[O:22])[N:25]([CH2:26][CH2:27][CH2:28][O:29][c:30]1[cH:31][c:32]2[c:33]([cH:45][cH:46]1)[N:34]([CH3:44])[C:35](=[O:43])[C:36]([CH3:41])([CH3:42])[C:37](=[O:40])[N:38]2[CH3:39])[CH2:47][CH2:48][c:49]1[cH:50][n:51][cH:52][cH:53][cH:54]1)([O-:23])=[O:24].[O:8]=[CH:9][N:10]([CH3:11])[CH3:12].[OH-:2].[OH2:55].[OH:3][C:4]([CH2:5][SH:6])=[O:7]>>[NH:25]([CH2:26][CH2:27][CH2:28][O:29][c:30]1[cH:31][c:32]2[c:33]([cH:45][cH:46]1)[N:34]([CH3:44])[C:35](=[O:43])[C:36]([CH3:41])([CH3:42])[C:37](=[O:40])[N:38]2[CH3:39])[CH2:47][CH2:48][c:49]1[cH:50][n:51][cH:52][cH:53][cH:54]1