HRID175500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID11832643

未命名化合物

结构：Cc1cc(CC(NC(=O)OCc2ccccc2)C(=O)O)ccc1C1CC(=O)NS1(=O)=O

HCID178425612

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(O)cccc1OCCCCNC(=O)C(Cc1ccc(C2CC(=O)NS2(=O)=O)c(C)c1)NC(=O)OCc1ccccc1

HCID178498958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-247787fb2bd146c796cbc7eba5c43571
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][c:17]1[cH:18][c:19]([CH3:31])[c:20]([CH:23]2[CH2:24][C:25](=[O:30])[NH:26][S:27]2(=[O:28])=[O:29])[cH:21][cH:22]1.[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[NH2:59][CH2:60][CH2:61][CH2:62][CH2:63][O:64][c:65]1[c:66]([C:67](=[O:68])[O:69][CH3:70])[c:71]([OH:75])[cH:72][cH:73][cH:74]1.[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][P+:41]([N:42]([CH3:43])[CH3:44])([N:45]([CH3:46])[CH3:47])[N:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][CH:12]([C:13](=[O:14])[NH:59][CH2:60][CH2:61][CH2:62][CH2:63][O:64][c:65]1[c:66]([C:67](=[O:68])[O:69][CH3:70])[c:71]([OH:75])[cH:72][cH:73][cH:74]1)[CH2:16][c:17]1[cH:18][c:19]([CH3:31])[c:20]([CH:23]2[CH2:24][C:25](=[O:30])[NH:26][S:27]2(=[O:28])=[O:29])[cH:21][cH:22]1