4-Methoxy-alpha-toluenethiol → HCID 69076973, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][SH:10])[cH:7][cH:8]1.[c:11]1(-[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:12][c:13]([CH2:17][CH2:18][CH:19]=[C:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28][c:29]2[cH:30][n:31][c:32]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:33][cH:34]2)[cH:14][cH:15][cH:16]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:9][S:10][CH:19]([CH2:18][CH2:17][c:13]2[cH:12][c:11](-[c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[cH:16][cH:15][cH:14]2)[CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28][c:29]2[cH:30][n:31][c:32]([NH:35][C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[cH:33][cH:34]2)[cH:7][cH:8]1Participants
3
Sources & evidence
- ORD record
- ord-d06461ebab654455b825bf2f76f722ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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