HRID2323737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID142749

Ethynylcyclobutane

C6H8

HCID53415320

tert-Butyl (6-chloro-4-iodopyridin-3-yl)carbamate

C10H12ClIN2O2

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C#CC1CCC1

HCID57908178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b9878d996b8645a5a05511b5b1a3d173
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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