HRID90520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID13624

2-Aminobenzimidazole

C7H7N3

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Br

HCID12067666

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccccc3[nH]2)cc1Br

HCID10278076

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45af2babcc41472eb2fcac9b4c8ace36
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

[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[CH2:66]([Cl:67])[Cl:68].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[NH2:56][c:57]1[n:58][c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[nH:65]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][P+:38]([N:39]([CH3:40])[CH3:41])([N:42]([CH3:43])[CH3:44])[N:45]([CH3:46])[CH3:47])[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Br:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:15])[NH:56][c:57]2[nH:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[n:65]2)[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]