HCID 58762400, compound → HCID 58762668, compound
Reaction equation
[CH3:30][c:31]1[n:32][c:33]2[n:34]([c:35]([CH3:37])[cH:36]1)[n:38][c:39]([SH:41])[n:40]2.[Cl:1][C:2]1=[C:7]([OH:8])[CH2:6][C:5]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([CH3:23])[n:19][o:20][c:21]3[CH3:22])[cH:15][cH:16]2)([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[O:4][C:3]1=[O:29]>>[C:2]1([S:41][c:39]2[n:38][n:34]3[c:33]([n:32][c:31]([CH3:30])[cH:36][c:35]3[CH3:37])[n:40]2)=[C:7]([OH:8])[CH2:6][C:5]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14](-[c:17]3[c:18]([CH3:23])[n:19][o:20][c:21]3[CH3:22])[cH:15][cH:16]2)([CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28]2)[O:4][C:3]1=[O:29]Participants
3
Sources & evidence
- ORD record
- ord-320c3929b5714ab6ae06169aa70d568c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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