HRID2141060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID24290

未命名化合物

HCID11714598

(4-(N,N-Dimethylamino)phenyl)di-tert-butyl phosphine

C16H28NP

2 次

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(Cl)nc2s1

HCID59174862

未命名化合物

HCID178528065

未命名化合物

PRODUCTS

生成物

结构：Fc1cc(C2OCCCO2)ccc1-c1nc2ccc(Cc3ccccc3)nc2s1

HCID59174872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a7b55d950314827b11ec6ab70f486bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br-:29].[C:49]([P:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[c:55]1[cH:56][cH:57][c:58]([N:59]([CH3:60])[CH3:61])[cH:62][cH:63]1)([CH3:64])([CH3:65])[CH3:66].[C:67]([P:68]([C:69]([CH3:70])([CH3:71])[CH3:72])[c:73]1[cH:74][cH:75][c:76]([N:77]([CH3:78])[CH3:79])[cH:80][cH:81]1)([CH3:82])([CH3:83])[CH3:84].[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH2:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[Zn+:37].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl-:38].[NH4+:39].[O:1]1[CH:2]([c:7]2[cH:8][c:9]([F:23])[c:10](-[c:13]3[s:14][c:15]4[n:16][c:17]([Cl:22])[cH:18][cH:19][c:20]4[n:21]3)[cH:11][cH:12]2)[O:3][CH2:4][CH2:5][CH2:6]1.[Pd:46]([Cl:47])[Cl:48]>>[O:1]1[CH:2]([c:7]2[cH:8][c:9]([F:23])[c:10](-[c:13]3[s:14][c:15]4[n:16][c:17]([CH2:30][c:31]5[cH:32][cH:33][cH:34][cH:35][cH:36]5)[cH:18][cH:19][c:20]4[n:21]3)[cH:11][cH:12]2)[O:3][CH2:4][CH2:5][CH2:6]1