HRID149601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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+

HCID2762725

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

C14H16Cl2O2

PRODUCTS

生成物

结构：O=C(Nc1nc2ccccc2[nH]1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

HCID10179216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2da8287d1be4543ac4e9b78b0f4ae90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:63]([Cl:64])[Cl:65].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[NH2:46][c:47]1[n:48][c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[nH:55]1.[OH2:66].[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][P+:28]([N:29]([CH3:30])[CH3:31])([N:32]([CH3:33])[CH3:34])[N:35]([CH3:36])[CH3:37])[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:46][c:47]2[nH:48][c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]3[n:55]2)[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1