HRID122438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734314

4-Benzyloxyphenylboronic acid

C13H13BO3

结构：CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(Br)cc32)N=C1N

HCID58423768

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4ccc(OCc5ccccc5)cc4)cc32)N=C1N

HCID58424233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d1a5e440ced4c2996ad2e72ee837d86
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:48](=[O:49])([O-:50])[O-:51].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[Cs+:52].[Cs+:53].[NH2:1][C:2]1=[N:22][C:5]2([C:4](=[O:23])[N:3]1[CH3:24])[CH2:6][CH:7]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:8][c:9]1[cH:10][cH:11][c:12]([Br:15])[cH:13][c:14]12.[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[NH2:1][C:2]1=[N:22][C:5]2([C:4](=[O:23])[N:3]1[CH3:24])[CH2:6][CH:7]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:36]3[cH:35][cH:34][c:33]([O:32][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:38][cH:37]3)[cH:13][c:14]12