Acetate → HCID 53741675, compound
Reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH3:20][c:21]1[c:22]([O:23][CH2:24][c:25]2[c:26]([C:31]([C:32]#[N:33])=[N:34][O:35][CH3:36])[cH:27][cH:28][cH:29][cH:30]2)[cH:37][c:38]([CH3:41])[cH:39][cH:40]1.[CH3:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[ClH:1].[NH2:2][CH2:3][CH2:4][SH:5].[OH2:42].[OH2:43].[OH2:53].[Zn+2:48]>>[CH2:3]1[CH2:4][S:5][C:32]([C:31]([c:26]2[c:25]([CH2:24][O:23][c:22]3[c:21]([CH3:20])[cH:40][cH:39][c:38]([CH3:41])[cH:37]3)[cH:30][cH:29][cH:28][cH:27]2)=[N:34][O:35][CH3:36])=[N:33]1Participants
9
Sources & evidence
- ORD record
- ord-bf3f5c5d993640da952a56eccb98388c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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