Toluene → HCID 74020383, compound
Reaction equation
[C:55]([CH3:56])(=[S:57])[OH:58].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][n:7]1[cH:8][n:9][cH:10][c:11]1[CH:12]=[C:13]1[CH2:14][N:15]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:16][CH2:17][CH:18]1[OH:19].[CH2:39]([O:40][CH:41]([O:42][CH2:43][C:44]([CH3:45])([CH3:46])[CH3:47])[N:48]([CH3:49])[CH3:50])[C:51]([CH3:52])([CH3:53])[CH3:54].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][n:7]1[cH:8][n:9][cH:10][c:11]1[CH:12]=[C:13]1[CH2:14][N:15]([C:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH2:16][CH2:17][CH:18]1[S:57][C:55]([CH3:56])=[O:58]Participants
6
Sources & evidence
- ORD record
- ord-5eda3c67fea44b1ebf17431389b9500c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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