HRID207749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID2736546

2-Chloro-4-fluorobenzoyl chloride

C7H3Cl2FO

结构：O=C(c1ccc(-c2cc[nH]n2)cc1)N1Cc2cccn2Cc2ccccc21

HCID178519422

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccn(C(=O)c3ccc(F)cc3Cl)n2)cc1)N1Cc2cccn2Cc2ccccc21

HCID9870998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b46d1213b5e454aa544fd14af18ad2b
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

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