Toluene → HCID 59334586, compound
Reaction equation
[CH3:1][n:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH:11]3[CH:12]([CH2:14][OH:15])[CH2:13]3)[c:9]2[cH:10]1.[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:16]=[C:17]([O:18][CH2:19][CH3:20])[N:21]=[N:22][C:23]([O:24][CH2:25][CH3:26])=[O:27].[O:47]=[C:48]1[NH:49][C:50](=[O:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]21.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][n:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][c:8]([CH:11]3[CH:12]([CH2:14][N:49]4[C:48](=[O:47])[c:57]5[c:52]([cH:53][cH:54][cH:55][cH:56]5)[C:50]4=[O:51])[CH2:13]3)[c:9]2[cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-8ab68d6bfce24fd2b378695425d49b3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…