Benzene → HCID 20382079, compound
Reaction equation
[CH2:4]([CH3:5])[n:6]1[n:7][cH:8][c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]12)[CH:15]([OH:24])[c:16]1[c:17]([cH:20][cH:21][cH:22][cH:23]1)[CH2:18][CH2:19]3.[Ca+2:2].[Cl-:1].[Cl-:3].[ClH:25].[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[Cl:1][CH:15]1[c:12]2[c:11]([cH:10][c:9]3[cH:8][n:7][n:6]([CH2:4][CH3:5])[c:14]3[n:13]2)[CH2:19][CH2:18][c:17]2[c:16]1[cH:23][cH:22][cH:21][cH:20]2Participants
6
Sources & evidence
- ORD record
- ord-dc51e6b937d64cb3a923e6caa66b4c81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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