HRID701014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID45787552

1-(5-Bromo-1,3-thiazol-2-yl)-4-methylpiperazine

C8H12BrN3S

结构：CC1(C)OB(c2cnc(N)c(-c3nc4ccccc4o3)c2)OC1(C)C

HCID67388912

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ncc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)s2)CC1

HCID67388438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2cdd156808c4cb79c96b40ad6b42021
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:26][c:27]1[cH:28][n:29][c:30]([N:32]2[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]2)[s:31]1.[CH3:41][OH:42].[CH3:43][C:44]#[N:45].[Cs+:40].[F-:39].[Pd:46]([Cl:47])[Cl:48].[c:49]1([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:63][cH:64][cH:65][cH:66][cH:67]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[o:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[c:2](-[c:10]2[c:11]([NH2:25])[n:12][cH:13][c:14](-[c:27]3[cH:28][n:29][c:30]([N:32]4[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]4)[s:31]3)[cH:15]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2