Benzene → HCID 68693841, compound
Reaction equation
[Br:1][c:2]1[c:3]([N:30]([C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:38][CH:39]=[CH:40][Cl:41])[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:10][c:11]12.[CH3:42][CH2:43][CH2:44][CH2:45][SnH:46]([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54].[N:55]#[C:56][C:57]([N:58]=[N:59][C:60]([C:61]#[N:62])([CH3:63])[CH3:64])([CH3:65])[CH3:66].[cH:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[c:2]12[c:3]([cH:4][cH:5][c:6]3[cH:7][cH:8][c:9]([S:12](=[O:13])(=[O:14])[N:15]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH2:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:10][c:11]13)[N:30]([C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:38][CH:39]2[CH2:40][Cl:41]Participants
5
Sources & evidence
- ORD record
- ord-470df12231dd450fb7f0e1600b7936ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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