HRID1148396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2776381

1-(Thiophen-3-yl)methanamine

C5H7NS

结构：COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25252905

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21

HCID178484291

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCc2ccsc2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID44547796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c7196c1415a476cb586f81bc7d8ef28
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

[C:74](=[O:75])([OH:76])[O-:77].[CH3:47][N:48]([C:49]([N:50]([CH3:51])[CH3:52])=[N+:53]1[c:54]2[c:55]([n:56][cH:57][cH:58][cH:59]2)[N+:60]([O-:61])=[N:62]1)[CH3:63].[CH3:79][N:80]([CH3:81])[CH:82]=[O:83].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:27])[OH:28])[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:64]([N:65]([CH:66]([CH3:67])[CH3:68])[CH2:69][CH3:70])([CH3:71])[CH3:72].[Na+:78].[OH2:73].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[s:33]1[cH:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]1>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([O:31][CH3:32])[cH:24][c:25]([C:26](=[O:28])[NH:39][CH2:38][c:35]5[cH:34][s:33][cH:37][cH:36]5)[cH:29][cH:30]4)[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1