Toluene → HCID 19986078, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[c:16]1[cH:17][c:18]([O:21][CH2:22][CH:23]([OH:24])[CH2:25][OH:26])[n:19][o:20]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:27]1([C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[Cl:46])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[c:16]1[cH:17][c:18]([O:21][CH2:22][CH:23]([OH:24])[CH2:25][O:26][C:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[n:19][o:20]1Participants
5
Sources & evidence
- ORD record
- ord-884761a89c1e4348b5b0768d67a8ffce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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