HRID949310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID7237

o-Xylene

C8H10

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID110862

2,6-Dimethyl morpholine

C6H13NO

HCID4060964

未命名化合物

HCID4574913

未命名化合物

结构：CC1(C)CCC(c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1

HCID59769418

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C3CCC(C)(C)CC3)c2)CC(C)O1

HCID69218967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-060b83e8aa72409db0028fe3f2d0ec33
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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