Toluene → HCID 178483506, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH2:27][N:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][CH2:37][CH:38]([C:39](=[O:40])[OH:41])[c:42]1[cH:43][nH:44][c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]12)=[O:51])[CH3:52].[CH3:55][N:56]([CH2:57][CH2:58][CH2:59][Cl:60])[CH3:61].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[NH2-:54].[Na:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([C:9]([CH:10]([CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[N:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26][CH2:27][N:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][CH2:37][CH:38]([C:39](=[O:40])[OH:41])[c:42]1[cH:43][n:44]([CH2:59][CH2:58][CH2:57][N:56]([CH3:55])[CH3:61])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]12)=[O:51])[CH3:52]Participants
6
Sources & evidence
- ORD record
- ord-5657ea4cc0d24777ae53c3d797864be3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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