HRID2138524

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：CC1(C)OB(c2ccc(CN3CCOCC3)cc2)OC1(C)C

HCID2795502

4-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

C17H26BNO3

反应SMILES：CCN(c1cc(Br)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID86672665

未命名化合物

PRODUCTS

产物

反应SMILES：CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)c(F)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID71465120

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5abb71f1663f49268c37c48cdd942365
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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