HRID1558152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10967830

Methanesulfonic acid, trifluoro-, 3,4-dihydro-1-naphthalenyl ester

C11H9F3O3S

结构：Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1B1OC(C)(C)C(C)(C)O1

HCID22219714

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1C1=CCCc2ccccc21

HCID9867363

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-740a641da3494c9ea27f0cdf5a0f4ffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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