HRID154170

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-

HCID73216

4-Thiazolecarboxylic acid, 2-amino-, ethyl ester

C6H8N2O2S

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID22467929

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1csc(NC(=O)C(CC2CCCC2)c2ccc(Oc3ccccc3)cc2)n1

HCID86584137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd0d9d1f555149fc99972a774ce48f66
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

[CH2:24]([CH3:25])[O:26][C:27](=[O:28])[c:29]1[n:30][c:31]([NH2:34])[s:32][cH:33]1.[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][cH:13][c:14]([O:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][P+:44]([N:45]([CH3:46])[CH3:47])([N:48]([CH3:49])[CH3:50])[N:51]([CH3:52])[CH3:53])[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:34][c:31]2[n:30][c:29]([C:27]([O:26][CH2:24][CH3:25])=[O:28])[cH:33][s:32]2)[c:11]2[cH:12][cH:13][c:14]([O:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1