HRID311458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID11406774

8-Iodo-3-(phenylsulfonyl)quinoline

C15H10INO2S

HCID50990188

Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

C13H16N2O2

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)N1CC2CN(c3cccc4cc(S(=O)(=O)c5ccccc5)cnc34)C2C1

HCID25196270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7cb177c44d047868365406430f9bcc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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