HRID702352

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID105144

Palladium(2+)

Pd+2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1Br

HCID59447615

tert-Butyl 6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-bromopyridine-2-carboxylate

C27H25BrN4O3S

HCID178528071

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1CCC1OCCO1

HCID59447567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-003e43ca9669405ba7a89f3c51227654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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