Toluene → HCID 68527229, compound
Reaction equation
[CH2:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Cl:44][c:45]1[cH:46][c:47]([N:52]=[C:53]=[O:54])[cH:48][cH:49][c:50]1[Cl:51].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:26]4[cH:27][c:28]5[c:32]([cH:33][cH:34]4)[O:31][CH2:30][O:29]5)[CH2:23][CH2:24]3)[cH:13][cH:14]2)[n:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[N:19]3[CH2:20][CH2:21][N:22]([CH2:25][c:26]4[cH:27][c:28]5[c:32]([cH:33][cH:34]4)[O:31][CH2:30][O:29]5)[CH2:23][CH2:24]3)[cH:13][cH:14]2)[n:6][cH:7]1)[C:53]([NH:52][c:47]1[cH:46][c:45]([Cl:44])[c:50]([Cl:51])[cH:49][cH:48]1)=[O:54]Participants
5
Sources & evidence
- ORD record
- ord-684513a7969641d892985ae5d959ae7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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