HRID693845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8706

2-Aminobenzothiazole

C7H6N2S

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

反应SMILES：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1C(F)(F)F

HCID12069504

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccccc3s2)cc1C(F)(F)F

HCID10117596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-00c900f272d44ae5ba6e5ee41123bee0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:69]([Cl:70])[Cl:71].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:52][c:53]1[s:54][c:55]2[c:56]([n:57]1)[cH:58][cH:59][cH:60][cH:61]2.[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]([CH3:36])[CH3:37])([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>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:52][c:53]2[s:54][c:55]3[c:56]([n:57]2)[cH:58][cH:59][cH:60][cH:61]3)[c:11]2[cH:12][c:13]([C:21]([F:22])([F:23])[F:24])[c:14]([S:17](=[O:18])(=[O:19])[CH3:20])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1