HRID1136369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID645030

(2,4-Dioxo-thiazolidin-5-yl)-acetic acid

C5H5NO4S

结构：O=C(Nc1ccc(C2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937157

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)C(CC(=O)N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)S1

HCID25122925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ec41cdef54146c4b8d4c78ca590b74f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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