Acetic Acid → HCID 18001035, compound
Reaction equation
[C:53](=[O:54])([O-:55])[OH:56].[CH3:41][C:42](=[O:43])[O:44][C:45](=[O:46])[CH3:47].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH3:64][C:65](=[O:66])[OH:67].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:40]1)[CH:7]([CH2:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]1)[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][cH:15][c:16]([CH:19]([CH2:20][c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[OH:28])[cH:17][cH:18]1)=[O:29].[Na+:57].[S:48](=[O:49])(=[O:50])([OH:51])[OH:52]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:40]1)[CH:7]([CH2:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][N:36]([CH3:39])[CH2:37][CH2:38]1)[CH2:8][CH2:9][CH2:10][N:11]2[C:12]([c:13]1[cH:14][cH:15][c:16]([CH:19]([CH2:20][c:21]2[c:22]([CH3:27])[cH:23][cH:24][cH:25][cH:26]2)[O:28][C:42]([CH3:41])=[O:43])[cH:17][cH:18]1)=[O:29]Participants
8
Sources & evidence
- ORD record
- ord-b3725d8c006944f589e2310beadff8e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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