4-Chlorophenylboronic acid → N2,N4-bis(3,4-ethylenedioxyphenyl)-5-(4-chlorophenyl)-2,4-pyrimidinediamine
Reaction equation
[CH2:1]1[O:2][c:3]2[cH:4][c:5]([NH:11][c:12]3[n:13][cH:14][c:15](-[c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[c:16]([NH:18][c:19]4[cH:20][c:21]5[c:22]([cH:23][cH:24]4)[O:25][CH2:26][CH2:27][O:28]5)[n:17]3)[cH:6][cH:7][c:8]2[O:9][CH2:10]1.[CH2:35]1[CH2:36][O:37][c:38]2[cH:39][cH:40][c:41]([NH:42][c:43]3[n:44][c:45]([NH:46][c:47]4[cH:48][cH:49][c:50]5[c:55]([cH:56]4)[O:54][CH2:53][CH2:52][O:51]5)[c:57]([Br:58])[cH:59][n:60]3)[cH:61][c:62]2[O:63]1.[Cl:64][c:65]1[cH:66][cH:67][c:68]([B:69]([OH:70])[OH:71])[cH:72][cH:73]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([NH:11][c:12]3[n:13][cH:14][c:15](-[c:29]4[cH:30][cH:31][c:32]([Cl:64])[cH:33][cH:34]4)[c:16]([NH:18][c:19]4[cH:20][c:21]5[c:22]([cH:23][cH:24]4)[O:25][CH2:26][CH2:27][O:28]5)[n:17]3)[cH:6][cH:7][c:8]2[O:9][CH2:10]1Participants
4
Sources & evidence
- ORD record
- ord-315f1c61a006455f93f6e5c7775f9db8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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