Toluene → HCID 23083008, compound
Reaction equation
[CH3:14][c:15]1[c:16]([O:17][c:18]2[cH:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][cH:23]2)[c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[N:57]([C:58]([O:59][CH2:60][CH3:61])=[O:62])=[N:63][C:64]([O:65][CH2:66][CH3:67])=[O:68].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1.[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1.[c:50]1([CH3:51])[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][C:10](=[O:11])[O:12][CH3:13])[cH:6][cH:7]1)[CH2:24][c:20]1[cH:19][c:18]([O:17][c:16]2[c:15]([CH3:14])[cH:29][cH:28][cH:27][c:26]2[CH3:30])[cH:23][cH:22][cH:21]1Participants
7
Sources & evidence
- ORD record
- ord-64c854f23b474fc6b5284d19c5225704
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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