Acetone → HCID 20536285, compound
Reaction equation
[CH2:50]([CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[SH:62].[CH3:63][C:64](=[O:65])[CH3:66].[Cl:1][N:2]1[CH2:3][N:4]([NH:29][CH2:30][C:31]([CH2:32][c:33]2[cH:34][c:35]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:36]([OH:43])[c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:38]2)([CH3:48])[CH3:49])[CH2:5][N:6]([NH:8][CH2:9][C:10]([CH2:11][c:12]2[cH:13][c:14]([C:23]([CH3:24])([CH3:25])[CH3:26])[c:15]([OH:22])[c:16]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:17]2)([CH3:27])[CH3:28])[CH2:7]1.[Na+:68].[OH-:67].[OH2:69]>>[N:2]1([S:62][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[CH2:3][N:4]([NH:29][CH2:30][C:31]([CH2:32][c:33]2[cH:34][c:35]([C:44]([CH3:45])([CH3:46])[CH3:47])[c:36]([OH:43])[c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:38]2)([CH3:48])[CH3:49])[CH2:5][N:6]([NH:8][CH2:9][C:10]([CH2:11][c:12]2[cH:13][c:14]([C:23]([CH3:24])([CH3:25])[CH3:26])[c:15]([OH:22])[c:16]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:17]2)([CH3:27])[CH3:28])[CH2:7]1Participants
7
Sources & evidence
- ORD record
- ord-c9fd775a4e584eb8b202c2895c598eef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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