HRID1556592

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl Acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CC(C)(C)OC(=O)N1CCOc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID59418692

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

C19H28BNO5

反应SMILES：COC(=O)c1nc(Br)ccc1OCCCOc1ccccc1

HCID59418768

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1nc(-c2ccc3c(c2)N(C(=O)OC(C)(C)C)CCO3)ccc1OCCCOc1ccccc1

HCID59418702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-af4fbc26b8a7457a8dc0634d17bd8153
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

[Br-:55].[Br:27][c:28]1[cH:29][cH:30][c:31]([O:38][CH2:39][CH2:40][CH2:41][O:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:32]([C:34](=[O:35])[O:36][CH3:37])[n:33]1.[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH2:73]1[O:74][CH2:75][CH2:76][O:77][CH2:78]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:12]([cH:24][cH:25]2)[O:13][CH2:14][CH2:15][N:16]3[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[O:26]1.[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[K+:49].[K+:50].[O-:51][C:52]([O-:53])=[O:54].[Pd:85]([Cl:86])[Cl:87].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:9]1(-[c:28]2[cH:29][cH:30][c:31]([O:38][CH2:39][CH2:40][CH2:41][O:42][c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:32]([C:34](=[O:35])[O:36][CH3:37])[n:33]2)[cH:10][c:11]2[c:12]([cH:24][cH:25]1)[O:13][CH2:14][CH2:15][N:16]2[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23]