HRID93064

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

2 次

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：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(Cl)n3)cccc2s1

HCID58612070

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(C4=CCN(C(=O)OC(C)(C)C)CC4)n3)cccc2s1

HCID11692952

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c57be0e2d73a4541901d65e191227a0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:54](=[O:55])([O-:56])[O-:57].[CH2:61]([CH2:62][O:63][CH3:64])[O:65][CH3:66].[CH3:109][CH2:110][OH:111].[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[O:53]1.[Cl:1][c:2]1[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1.[Na+:58].[Na+:59].[OH2:60].[OH2:67].[Pd:68]([Cl:69])[Cl:70].[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1([C:40]2=[CH:41][CH2:42][N:43]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:44][CH2:45]2)[n:3][c:4](-[c:22]2[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]2)[cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:18][C:19]([CH3:20])=[O:21])[s:17]3)[n:7]1