HRID207135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7172

p-Synephrine

C9H13NO2

HCID7953

2,4,6-Trimethylpyridine

C8H11N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CO)sc21

HCID6482399

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2s1)CC(O)c1ccc(O)cc1

HCID10029378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38ac2d5b51d84d0faaa5d087ab5630d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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