HCID 21271729, compound → HCID 21271728, compound
Reaction equation
[CH3:1][O:2][C:3]([C:4]([CH2:5][CH2:6][N:7]1[CH2:8][c:9]2[cH:10][c:11]([S:17]([NH:18][c:19]3[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]3)(=[O:26])=[O:27])[cH:12][cH:13][c:14]2[CH2:15][CH2:16]1)([CH3:28])[CH3:29])=[O:30].[O:31]=[C:32]([N:33]1[CH2:34][CH2:35][c:36]2[c:37]([cH:38][c:39]([S:40](=[O:41])(=[O:42])[NH:43][c:44]3[cH:45][cH:46][cH:47][c:48]([Cl:49])[cH:50]3)[cH:51][cH:52]2)[CH2:53]1)[C:54]([CH3:55])([CH3:56])[CH2:57][CH2:58][N:59]1[CH2:60][CH2:61][c:62]2[c:63]([cH:64][c:65]([S:66](=[O:67])(=[O:68])[NH:69][c:70]3[cH:71][cH:72][cH:73][c:74]([Cl:75])[cH:76]3)[cH:77][cH:78]2)[CH2:79]1>>[O:2]=[C:3]([C:4]([CH2:5][CH2:6][N:7]1[CH2:8][c:9]2[cH:10][c:11]([S:17]([NH:18][c:19]3[cH:20][c:21]([Cl:25])[cH:22][cH:23][cH:24]3)(=[O:26])=[O:27])[cH:12][cH:13][c:14]2[CH2:15][CH2:16]1)([CH3:28])[CH3:29])[OH:30]Participants
3
Sources & evidence
- ORD record
- ord-4d85c352858b4a59863a4b9e0eb90ba2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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