Bromide ion → ({3-[(3-Butyl-5-chlorophenyl)oxy]-4-chloro-2-fluorophenyl}methyl)amine
반응식
[Br-:20].[Br:1][c:2]1[cH:3][c:4]([O:9][c:10]2[c:11]([F:19])[c:12]([CH2:17][NH2:18])[cH:13][cH:14][c:15]2[Cl:16])[cH:5][c:6]([Cl:8])[cH:7]1.[CH2:21]([CH2:22][CH2:23][CH3:24])[Zn+:25].[CH2:26]1[O:27][CH2:28][CH2:29][CH2:30]1.[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[c:2]1([CH2:21][CH2:22][CH2:23][CH3:24])[cH:3][c:4]([O:9][c:10]2[c:11]([F:19])[c:12]([CH2:17][NH2:18])[cH:13][cH:14][c:15]2[Cl:16])[cH:5][c:6]([Cl:8])[cH:7]1참가 물질
7
반응물 6
생성물 1
출처 및 근거
- ORD 기록
- ord-8cd50b2ab85140699e145fb0c816b89f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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