Toluene → HCID 22103417, compound
Reaction equation
[CH2:47]([SnH:48]([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[N:35]#[C:36][C:37]([N:38]=[N:39][C:40]([C:41]#[N:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:1]([C:2]([O:3][CH2:11][c:12]1[n:13][cH:14][n:15][n:16]1[CH2:17][CH2:18][CH2:19][O:20][c:21]1[c:22]([CH3:34])[cH:23][c:24](-[c:28]2[n:29][n:30][n:31]([CH3:33])[n:32]2)[cH:25][c:26]1[CH3:27])=[S:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[CH3:11][c:12]1[n:13][cH:14][n:15][n:16]1[CH2:17][CH2:18][CH2:19][O:20][c:21]1[c:22]([CH3:34])[cH:23][c:24](-[c:28]2[n:29][n:30][n:31]([CH3:33])[n:32]2)[cH:25][c:26]1[CH3:27]Participants
5
Sources & evidence
- ORD record
- ord-2c2a7e5e076f4a77b769757ca55a115e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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