Toluene → HCID 10144265, compound
Reaction equation
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:26]([CH3:27])([CH3:28])[c:29]1[c:30]([O:41][S:42]([NH2:43])(=[O:44])=[O:45])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([S:35][C:36]#[N:37])[cH:34]1.[CH:7]([CH3:8])([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[OH:25])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6]>>[CH:7]([CH3:8])([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[NH:43][S:42]([O:41][c:30]2[c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][c:33]([S:35][C:36]#[N:37])[cH:32][c:31]2[CH:38]([CH3:39])[CH3:40])(=[O:44])=[O:45])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-39a283c1045b41a7932546c03e9c9c52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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