HRID116902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID8083

Morpholine

C4H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：O=C(NCc1ccc(Cl)cc1)c1cnc2c(I)cc(CO)cc2c1O

HCID178522929

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Cl)cc1)c1cnc2c(I)cc(CN3CCOCC3)cc2c1O

HCID178522928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7834e3df80b4132b53b14149cc469b9
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

[CH2:40]1[CH2:41][O:42][CH2:43][CH2:44][NH:45]1.[CH3:35][S:36](=[O:37])(=[O:38])[Cl:39].[CH3:46][N:47]([c:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1)[CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]3[c:14]([I:23])[cH:15][c:16]([CH2:21][OH:22])[cH:17][c:18]3[c:19]2[OH:20])[cH:24][cH:25]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[n:26]1[c:27]([CH3:28])[cH:29][c:30]([CH3:31])[cH:32][c:33]1[CH3:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[cH:11][n:12][c:13]3[c:14]([I:23])[cH:15][c:16]([CH2:21][N:45]4[CH2:40][CH2:41][O:42][CH2:43][CH2:44]4)[cH:17][c:18]3[c:19]2[OH:20])[cH:24][cH:25]1