HRID94772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2736085

2,5-Dichloronicotinic acid

C6H3Cl2NO2

HCID67099301

未命名化合物

PRODUCTS

生成物

结构：N=C(COCCc1ccc2ccccc2c1)NC(=O)c1cc(Cl)cnc1Cl

HCID140520068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6412ea79e5544d678d39a1604af2d93e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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