Sodium ion → 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
Reaction equation
[CH3:1][n:2]1[n:3][c:4](-[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[c:5](-[c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[cH:6]1.[Na+:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH-:51].[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36][cH:37][cH:38]1.[n:39]1[c:40]([CH2:49][OH:50])[cH:41][n:42][c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]12>>[CH3:1][n:2]1[n:3][c:4](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:49][c:40]3[n:39][c:48]4[c:43]([n:42][cH:41]3)[cH:44][cH:45][cH:46][cH:47]4)[cH:17][cH:18]2)[c:5](-[c:7]2[cH:8][cH:9][n:10][cH:11][cH:12]2)[cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-cd4b3e2cf0464fdab6489efdf90b1d4a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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