HRID1149249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7859

Propargyl alcohol

C3H4O

HCID31268

Pyrrolidine

C4H9N

HCID20577391

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

HCID54255612

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecc0bbd221414ad3a6236913f83a11f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10]([CH2:11][O:12][c:13]1[cH:14][c:15]([Br:19])[cH:16][cH:17][cH:18]1)=[O:20].[CH2:1]([C:2]#[CH:3])[OH:4].[CH2:23]1[CH2:24][NH:25][CH2:26][CH2:27]1.[Cl-:21].[NH4+:22].[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([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)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104]1>>[CH2:1]([C:2]#[C:3][c:15]1[cH:14][c:13]([O:12][CH2:11][C:10]([O:9][C:5]([CH3:6])([CH3:7])[CH3:8])=[O:20])[cH:18][cH:17][cH:16]1)[OH:4]