HRID1138595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10752

Coumarin-3-carboxylic acid

C10H6O4

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

结构：OCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID12891699

未命名化合物

PRODUCTS

生成物

结构：O=C(OCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1)c1cc2ccccc2oc1=O

HCID13653904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f3c02b42fa843f9a2c39f239fca73db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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