Bromide ion → 3-Benzyl-4,5-dimethyl-6-(3-methylpiperazin-1-yl)pyridazine
Reaction equation
[Br-:17].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[Zn+:25].[Cl:1][c:2]1[n:3][n:4][c:5]([N:10]2[CH2:11][CH:12]([CH3:16])[NH:13][CH2:14][CH2:15]2)[c:6]([CH3:9])[c:7]1[CH3:8].[cH:26]1[cH:27][cH:28][c:29]([P:30]([Pd:31]([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102]1>>[c:2]1([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:3][n:4][c:5]([N:10]2[CH2:11][CH:12]([CH3:16])[NH:13][CH2:14][CH2:15]2)[c:6]([CH3:9])[c:7]1[CH3:8]Participants
5
Sources & evidence
- ORD record
- ord-91e80c50a39549b2991d8a1da247fbc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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