HRID2315033

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24386

Thionyl chloride

Cl2OS

HCID137254

1-Methyl-3-aminopyrazole

C4H7N3

结构：CC1(C)Cc2c(OCc3ccccc3)cc(C(=O)O)cc2O1

HCID59560009

未命名化合物

PRODUCTS

生成物

结构：Cn1ccc(NC(=O)c2cc(OCc3ccccc3)c3c(c2)OC(C)(C)C3)n1

HCID59559965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a9fcaa3f36d8438d90ac03a580cb9894
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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