HRID2317395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3C(=O)O)cc2)cc1

HCID22010969

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3N)cc2)cc1

HCID22010715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d262b3509a604558afa4627466b425c7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([c:24]4[c:25]([C:30]([OH:31])=[O:32])[cH:26][cH:27][cH:28][cH:29]4)[CH3:33])[cH:34][cH:35]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[ClH:60].[c:36]1([P:37]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)(=[O:46])[N:50]=[N+:38]=[N-:39])[cH:47][cH:48][cH:49][cH:51][cH:52]1.[cH:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:21](=[O:22])[N:23]([c:24]4[c:25]([NH2:50])[cH:26][cH:27][cH:28][cH:29]4)[CH3:33])[cH:34][cH:35]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1