Hydrochloric Acid → 3-Hydroxymethylchrysene
Reaction equation
[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[ClH:24].[cH:1]1[cH:2][c:3]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]4[cH:10][cH:11][cH:12][cH:13][c:14]4[c:15]3[cH:16][cH:17][c:18]12>>[cH:1]1[cH:2][c:3]([CH2:19][OH:20])[cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]4[cH:10][cH:11][cH:12][cH:13][c:14]4[c:15]3[cH:16][cH:17][c:18]12Participants
4
Sources & evidence
- ORD record
- ord-22ff41cc03624ce39096c7db3f5a98bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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