HRID702890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID84432

4-Amino-2-chloropyridine

C5H5ClN2

结构：CC(C)C(O)(c1ccc(B(O)O)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668578

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：CC(C)C(O)(c1ccc(-c2cc(N)ccn2)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID18668523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b8b310675294d2d9e119433dbae94ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br-:48].[NH2:39][c:40]1[cH:41][c:42]([Cl:46])[n:43][cH:44][cH:45]1.[Na+:47].[OH:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[n:7][cH:8][n:9]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:10]1)[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[OH:1][C:2]([CH:3]([CH3:4])[CH3:5])([c:6]1[n:7][cH:8][n:9]([C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:10]1)[c:30]1[cH:31][cH:32][c:33](-[c:42]2[cH:41][c:40]([NH2:39])[cH:45][cH:44][n:43]2)[cH:34][cH:35]1