HRID1571412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID81453

N-Methylpyrrole-2-carboxylic acid

C6H7NO2

HCID69001759

未命名化合物

PRODUCTS

生成物

结构：Cn1cccc1C(=O)Nc1ccccc1C=Cc1n[nH]c2ccccc12

HCID68998432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3f951f619bf4776a40e43dfcf5209c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]([Cl:51])[Cl:52].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][n:2]1[c:3]([C:7](=[O:8])[OH:9])[cH:4][cH:5][cH:6]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:59][OH:60].[K+:48].[K+:49].[O:14]=[CH:15][N:16]([CH3:17])[CH3:18].[OH2:58].[S:10]([Cl:11])([Cl:12])=[O:13].[nH:19]1[n:20][c:21]([CH:28]=[CH:29][c:30]2[c:31]([NH2:36])[cH:32][cH:33][cH:34][cH:35]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]12>>[CH3:1][n:2]1[c:3]([C:7](=[O:9])[NH:36][c:31]2[c:30]([CH:29]=[CH:28][c:21]3[n:20][nH:19][c:27]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[cH:35][cH:34][cH:33][cH:32]2)[cH:4][cH:5][cH:6]1