Toluene → HCID 178426609, compound
Reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[Si:17]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH:23]([C:24](=[O:25])[O:26][CH3:27])[O:28][c:29]1[c:30]2[c:31]([n:32][cH:33][n:34]1)[n:35](-[c:38]1[c:39]([CH3:46])[cH:40][cH:41][c:42]([C:44]#[N:45])[cH:43]1)[n:36][cH:37]2)([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH2:12])[n:10][cH:11]1>>[CH3:5][c:6]1[cH:7][cH:8][c:9]([NH:12][C:24]([CH:23]([CH2:22][O:21][CH2:20][CH2:19][O:18][Si:17]([C:13]([CH3:14])([CH3:15])[CH3:16])([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[O:28][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([CH3:46])[cH:40][cH:41][c:42]([C:44]#[N:45])[cH:43]2)[n:36][cH:37]3)=[O:25])[n:10][cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-ae1f2f445dc743f2aaa89e4074ab76de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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