Toluene → HCID 57231297, compound
Reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][c:9]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:10][c:11]3[n:12][c:13]2[c:14]([C:16]#[N:17])[cH:15]1.[P:34]([O:35][c:36]1[cH:37][c:38]([Br:42])[cH:39][cH:40][cH:41]1)([S:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([Cl:50])=[O:51]>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]3[cH:7][cH:8][c:9]([S:18](=[O:19])(=[O:20])[CH3:21])[cH:10][c:11]3[n:12][c:13]2[c:14]([C:16]#[N:17])[cH:15]1)[P:34]([O:35][c:36]1[cH:37][c:38]([Br:42])[cH:39][cH:40][cH:41]1)([S:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:51]Participants
6
Sources & evidence
- ORD record
- ord-09d01ac0bc054b1086a287bef103caed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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