Nitrogen → HCID 54684477, compound
Reaction equation
[CH3:28][c:29]1[n:30][c:31]2[n:32]([c:33]([CH3:35])[cH:34]1)[n:36][c:37]([SH:39])[n:38]2.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:1][C:2]1=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[c:17]([O:25][CH3:26])[cH:18][c:19]([O:23][CH3:24])[c:20]([Cl:22])[cH:21]2)[O:4][C:3]1=[O:27].[N:40]#[N:41].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[C:2]1([S:39][c:37]2[n:36][n:32]3[c:31]([n:30][c:29]([CH3:28])[cH:34][c:33]3[CH3:35])[n:38]2)=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[c:17]([O:25][CH3:26])[cH:18][c:19]([O:23][CH3:24])[c:20]([Cl:22])[cH:21]2)[O:4][C:3]1=[O:27]Participants
7
Sources & evidence
- ORD record
- ord-ac9af73d350a4a5797c0dffd353948c5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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