HRID207517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C(=O)OC(C)(C)C

HCID44557750

1-tert-Butyl 2-methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-1,2-dicarboxylate

C17H26BNO6

HCID57833430

4-[(2-Chloro-4-pyridinyl)oxy]benzenamine

C11H9ClN2O

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2cc(Oc3ccc(N)cc3)ccn2)cn1C(=O)OC(C)(C)C

HCID58167938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-996eab65be8b45119f7ad4f80305cb08
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][c:26]([C:36](=[O:37])[O:38][CH3:39])[n:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:28]2)[O:40]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]([NH2:13])[cH:14][cH:15]2)[cH:7]1.[Na+:45].[Na+:46].[OH2:94].[Pd:53]([Cl:54])[Cl:55].[c:56]1([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)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([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)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[c:2]1(-[c:24]2[cH:25][c:26]([C:36](=[O:37])[O:38][CH3:39])[n:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:28]2)[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][cH:11][c:12]([NH2:13])[cH:14][cH:15]2)[cH:7]1