Toluene → HCID 11490985, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:17][O:18][C:19]([CH2:20][c:21]1[cH:22][c:23]([OH:46])[c:24]([NH:27][C:28](=[O:29])[c:30]2[c:31](-[c:36]3[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]3)[cH:32][cH:33][cH:34][cH:35]2)[cH:25][cH:26]1)=[O:47])=[O:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:56][C:57]([Cl:58])=[O:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH2:17][O:18][C:19]([CH2:20][c:21]1[cH:22][c:23]([O:46][C:57]([CH3:56])=[O:59])[c:24]([NH:27][C:28](=[O:29])[c:30]2[c:31](-[c:36]3[cH:37][cH:38][c:39]([C:42]([F:43])([F:44])[F:45])[cH:40][cH:41]3)[cH:32][cH:33][cH:34][cH:35]2)[cH:25][cH:26]1)=[O:47])=[O:48]Participants
5
Sources & evidence
- ORD record
- ord-efee60d8f7de4a15a619f0202dfe5c6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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