HRID114424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID3613517

3-ethynyl-3-quinuclidinol

C9H13NO

HCID18182206

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC1CN(c2ccc(C#CC3(O)CN4CCC3CC4)c(Cc3ccccc3)n2)CC1OCF

HCID178493674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-433d4e2766384052b0c86c8afbcebee3
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:25](#[CH:26])[C:27]1([OH:35])[CH2:28][N:29]2[CH2:30][CH2:31][CH:32]1[CH2:33][CH2:34]2.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([N:15]2[CH2:16][CH:17]([O:22][CH2:23][F:24])[CH:18]([O:20][CH3:21])[CH2:19]2)[cH:11][cH:12][c:13]1[I:14].[CH3:115][N:116]([CH3:117])[CH:118]=[O:119].[CH3:120][CH2:121][N:122]([CH2:123][CH3:124])[CH2:125][CH3:126].[I-:36].[NH3:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([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)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([N:15]2[CH2:16][CH:17]([O:22][CH2:23][F:24])[CH:18]([O:20][CH3:21])[CH2:19]2)[cH:11][cH:12][c:13]1[C:26]#[C:25][C:27]1([OH:35])[CH2:28][N:29]2[CH2:30][CH2:31][CH:32]1[CH2:33][CH2:34]2