Toluene → HCID 178492298, compound
Reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][Al:35]([CH3:36])[CH3:37].[CH3:38][O:39][c:40]1[cH:41][cH:42][c:43]([NH:46][C:47]([O:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)=[N:55][C:56]#[N:57])[cH:44][cH:45]1.[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[Cl:58][CH2:59][Cl:60].[Cl:8][c:9]1[c:10]([C:24](=[O:25])[NH2:26])[c:11]2[n:12]([c:17]1-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:13][CH2:14][NH:15][CH2:16]2.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[Cl:8][c:9]1[c:10]([C:24](=[O:25])[NH2:26])[c:11]2[n:12]([c:17]1-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:13][CH2:14][N:15]([C:47]([NH:46][c:43]1[cH:42][cH:41][c:40]([O:39][CH3:38])[cH:45][cH:44]1)=[N:55][C:56]#[N:57])[CH2:16]2Participants
8
Sources & evidence
- ORD record
- ord-ccc87521601247cbb3260aeb65d8ce5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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