Toluene → HCID 178455540, compound
Reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[Si:18]([O:19][CH2:20][CH2:21][O:22][CH2:23][CH:24]([C:25](=[O:26])[O:27][CH3:28])[O:29][c:30]1[c:31]2[c:32]([n:33][cH:34][n:35]1)[n:36](-[c:39]1[n:40][cH:41][cH:42][cH:43][c:44]1[Cl:45])[n:37][cH:38]2)([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[NH2:5][c:6]1[n:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1>>[NH:5]([c:6]1[n:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1)[C:25]([CH:24]([CH2:23][O:22][CH2:21][CH2:20][O:19][Si:18]([C:14]([CH3:15])([CH3:16])[CH3:17])([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[O:29][c:30]1[c:31]2[c:32]([n:33][cH:34][n:35]1)[n:36](-[c:39]1[n:40][cH:41][cH:42][cH:43][c:44]1[Cl:45])[n:37][cH:38]2)=[O:26]Participants
5
Sources & evidence
- ORD record
- ord-a09eb18233b64faeafc577a2eef3ba0a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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