HRID303659

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)CCn1nc(C(C)C)c(O)c(C2=NS(=O)(=O)c3cc(N)ccc3N2)c1=O

HCID136148569

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1nc(C(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NC(=O)c4ccccc4)ccc3N2)c1=O

HCID136148557

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ff020ae32194cd29988dd5889cf9892
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)(=[O:44])[Cl:45].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:28][cH:29]1)[NH:6][C:7]([c:12]1[c:13](=[O:27])[n:14]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[n:15][c:16]([CH:19]([CH3:20])[CH3:21])[c:17]1[OH:18])=[N:8][S:9]2(=[O:10])=[O:11].[Na+:50].[O-:46][C:47]([OH:48])=[O:49].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:28][cH:29]1)[NH:6][C:7]([c:12]1[c:13](=[O:27])[n:14]([CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[n:15][c:16]([CH:19]([CH3:20])[CH3:21])[c:17]1[OH:18])=[N:8][S:9]2(=[O:10])=[O:11])[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44]