S-[2-[(2-acetamido-3-sulfanyl-propanoyl)amino]ethyl] ethanethioate → HCID 178474945, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][S:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[NH:29][CH2:30][CH2:31][S:32][C:33]([CH:34]([CH3:35])[CH3:36])=[O:37].[C:38]([NH:39][CH:40]([C:41]([NH:42][CH2:43][CH2:44][S:45][C:46](=[O:47])[CH3:48])=[O:49])[CH2:50][SH:51])(=[O:52])[CH3:53]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([CH2:6][SH:7])[C:27](=[O:28])[NH:29][CH2:30][CH2:31][S:32][C:33]([CH:34]([CH3:35])[CH3:36])=[O:37]Participants
3
Sources & evidence
- ORD record
- ord-d393f2b88a3c49bf8c6c7fc06ed08d17
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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