HRID306461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID8058

n-Hexane

C6H14

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

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：CC(C)n1nc(-c2nc(Br)c(N)nc2-c2ccccc2)ccc1=O

HCID86600915

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1nc(-c2nc(C#C[Si](C)(C)C)c(N)nc2-c2ccccc2)ccc1=O

HCID69331979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c4a7c2d252234648ad26ea2fbc3023d2
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:32](#[CH:33])[Si:34]([CH3:35])([CH3:36])[CH3:37].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:86][CH2:87][CH2:88][CH2:89][CH2:90][CH3:91].[CH3:92][C:93](=[O:94])[CH3:95].[Cl:39][CH2:40][CH2:41][Cl:42].[Cu:43][I:44].[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[Br:15].[OH2:38].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[C:33]#[C:32][Si:34]([CH3:35])([CH3:36])[CH3:37]