Toluene → HCID 14479963, compound
Reaction equation
[C:23]([n:24]1[cH:25][cH:26][n:27][cH:28]1)([n:29]1[cH:30][cH:31][n:32][cH:33]1)=[O:34].[CH2:53]([Cl:54])[Cl:55].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:1]1(-[c:7]2[s:8][cH:9][c:10]([CH2:12][O:13][c:14]3[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:35]1([CH3:45])[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:39][cH:40]1>>[c:1]1(-[c:7]2[s:8][cH:9][c:10]([CH2:12][O:13][c:14]3[cH:15][c:16]([C:17](=[O:19])[NH:44][S:41]([c:38]4[cH:37][cH:36][c:35]([CH3:45])[cH:40][cH:39]4)(=[O:42])=[O:43])[cH:20][cH:21][cH:22]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-1ee0944c71164faf8f46890b52a03e40
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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