S-[2-[(2-acetamido-3-sulfanyl-propanoyl)amino]ethyl] ethanethioate → HCID 178454549, compound
Reaction equation
[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[NH:6][CH:7]([CH2:8][S:9][C:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29](=[O:30])[NH:31][CH2:32][CH2:33][S:34][C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42].[C:43]([NH:44][CH:45]([C:46]([NH:47][CH2:48][CH2:49][S:50][C:51](=[O:52])[CH3:53])=[O:54])[CH2:55][SH:56])(=[O:57])[CH3:58]>>[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[NH:6][CH:7]([CH2:8][SH:9])[C:29](=[O:30])[NH:31][CH2:32][CH2:33][S:34][C:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42]Participants
3
Sources & evidence
- ORD record
- ord-39a667f396904e24b9f52a03b5cb3580
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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