HRID204701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID11110497

Methyl Tributylstannyl Sulfide

C13H30SSn

HCID21868713

未命名化合物

PRODUCTS

生成物

结构：CSc1ccc2c(c1)N1CCN(C(=O)OC(C)(C)C)CC1C2

HCID21868764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f14ababc49274debb59504417d7f080d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH:29]2[N:30]([c:31]3[cH:32][c:33]([I:38])[cH:34][cH:35][c:36]3[CH2:37]2)[CH2:39][CH2:40]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:41][S:42][Sn:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[OH2:56].[Pd+2:62].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[N:27]1[CH2:28][CH:29]2[N:30]([c:31]3[cH:32][c:33]([S:42][CH3:41])[cH:34][cH:35][c:36]3[CH2:37]2)[CH2:39][CH2:40]1