HRID105432

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24290

未命名化合物

HCID24350

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

CuI

HCID53415320

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

C10H12ClIN2O2

PRODUCTS

生成物

结构：CC(C)(C)C#Cc1cc(Cl)ncc1NC(=O)OC(C)(C)C

HCID57908146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5017fb9826b4c4a8f80a9f301767108
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][n:10][c:11]([Cl:15])[cH:12][c:13]1[I:14])=[O:16].[CH3:17][C:18]([C:19]#[CH:20])([CH3:21])[CH3:22].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cu:38][I:39].[OH2:37].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][n:10][c:11]([Cl:15])[cH:12][c:13]1[C:20]#[C:19][C:18]([CH3:17])([CH3:21])[CH3:22])=[O:16]