Toluene → HCID 18537692, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[cH:10][cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([N+:29]([O-:30])=[O:31])[c:18]([N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:19]2)[cH:32][cH:33]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[C:40]([O:41][CH2:42][CH3:43])(=[O:44])[CH3:45].[C:53]([O:54][CH2:55][CH3:56])(=[O:57])[CH3:58].[CH3:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64].[c:46]1([CH3:47])[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[cH:10][cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([NH2:29])[c:18]([N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:19]2)[cH:32][cH:33]1)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]Participants
5
Sources & evidence
- ORD record
- ord-70bfa127a8ad4cfbbef710d99dfae303
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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