HRID1237419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(Cl)n2)c2ccccc12

HCID22573813

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccnc(C)n2)c2ccccc12

HCID22573807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2eeb69a1e2f4bad8daa3ed9bbc4c292
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:33][CH3:34])[c:9]([NH:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([O:25][c:26]3[n:27][c:28]([Cl:32])[n:29][cH:30][cH:31]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[cH:10]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:47][CH2:48][OH:49].[Na+:54].[Na+:55].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:46].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:33][CH3:34])[c:9]([NH:11][C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([O:25][c:26]3[n:27][c:28]([CH3:36])[n:29][cH:30][cH:31]3)[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]23)[cH:10]1