HRID1549716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID23130515

未命名化合物

HCID58784252

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(C(=O)NCc2ccc(Oc3ccccc3)s2)c(N)n1

HCID23130395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41e36408c3a541588f19cfe7e0c8c7a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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