Toluene → HCID 66892932, compound
Reaction equation
[C:28]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])(=[O:35])[O:36][CH2:37][CH3:38].[CH2:39]([P:40]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH3:51].[CH3:52][N:53]([CH3:54])[C:55]([N:56]=[N:57][C:58]([N:59]([CH3:60])[CH3:61])=[O:62])=[O:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[c:15]([CH3:22])[cH:16][c:17]([CH2:20][OH:21])[cH:18][cH:19]4)[cH:9][n:10][c:11]13)[cH:23][cH:24][c:25]([CH3:27])[cH:26]2>>[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6]3[cH:7][c:8]([CH2:12][CH2:13][c:14]4[c:15]([CH3:22])[cH:16][c:17]([CH2:20][CH:29]([C:28](=[O:35])[O:36][CH2:37][CH3:38])[C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:18][cH:19]4)[cH:9][n:10][c:11]13)[cH:23][cH:24][c:25]([CH3:27])[cH:26]2Participants
6
Sources & evidence
- ORD record
- ord-adf630400c6544ea97de60e13c4e4770
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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