HRID176438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8424

8-Methyl-8-azabicyclo[3.2.1]octan-3-ol

C8H15NO

HCID166653

Hydride

H-

HCID2724519

3,4-Difluorobenzoyl chloride

C7H3ClF2O

HCID23087318

未命名化合物

结构：CCN(C(=O)c1ccc(F)c(F)c1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

HCID66627253

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)c1ccc(OC2CC3CCC(C2)N3C)c(F)c1)c1cc(OC)ccc1C1CCc2cc(OC)ccc2C1

HCID58023090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f8ceb9f040d42aa9dfbf0e1e8991308
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

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