HRID2148878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID11149921

TERT-BUTYL 2-(AMINOMETHYL)-4-CHLOROBENZYLCARBAMATE

C13H19ClN2O2

结构：O=C(O)C1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21

HCID178524421

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CNC(=O)C1CCCN1C(=O)C1(O)c2ccccc2-c2ccccc21

HCID10166977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea0aa10d4a5b4435b2c6269d65079dc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][CH2:33][c:34]1[c:35]([CH2:36][NH2:37])[cH:38][c:39]([Cl:42])[cH:40][cH:41]1.[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:77][N:78]([CH3:79])[CH:80]=[O:81].[OH:1][C:2]1([C:15](=[O:16])[N:17]2[CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][CH2:24]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21.[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][P+:59]([N:60]([CH3:61])[CH3:62])([N:63]([CH3:64])[CH3:65])[N:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1>>[OH:1][C:2]1([C:15](=[O:16])[N:17]2[CH:18]([C:19](=[O:20])[NH:37][CH2:36][c:35]3[c:34]([CH2:33][NH:32][C:30]([O:29][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:31])[cH:41][cH:40][c:39]([Cl:42])[cH:38]3)[CH2:22][CH2:23][CH2:24]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21