HRID1212787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7859

Propargyl alcohol

C3H4O

HCID31268

Pyrrolidine

C4H9N

结构：Brc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1

HCID58691606

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：OCC#Cc1ccc(-c2cnc3c(-c4ccccc4)cnn3c2)cc1

HCID58691605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ad7ad75011b48c88cc188df30c013c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]3[n:12]([cH:13]2)[n:14][cH:15][c:16]3-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[CH2:23]([C:24]#[CH:25])[OH:26].[CH2:27]1[CH2:28][NH:29][CH2:30][CH2:31]1.[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[cH:107][cH:108]1>>[c:2]1([C:25]#[C:24][CH2:23][OH:26])[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]3[n:12]([cH:13]2)[n:14][cH:15][c:16]3-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1