HRID187299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8374

2-Chlorobenzoic acid

C7H5ClO2

HCID3386966

Imidazolate

C3H3N2-

结构：CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1F

HCID19783211

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nn(-c2cc(NC(=O)CC)ccc2Cl)c(C#N)c1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1F

HCID9918349

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf3703286dd5499c8c2ddb961bddcdcc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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