Toluene → HCID 69216863, compound
Reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[OH:1][CH2:2][c:3]1[cH:4][c:5]([O:25][CH3:26])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]3)[o:12][c:13]2[CH3:14])[cH:23][cH:24]1.[S:27]([Cl:28])([Cl:29])=[O:30]>>[CH2:2]([c:3]1[cH:4][c:5]([O:25][CH3:26])[c:6]([O:7][CH2:8][c:9]2[n:10][c:11](-[c:15]3[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]3)[o:12][c:13]2[CH3:14])[cH:23][cH:24]1)[Cl:29]Participants
4
Sources & evidence
- ORD record
- ord-502e5f9baa6f4dd3ab4111b64cb2fdf7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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