Acetic Acid → HCID 59513610, compound
Reaction equation
[C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])(=[O:59])[N:60]1[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:66][C:67](=[O:68])[OH:69].[OH:1][CH2:2][c:3]1[n:4]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[cH:6][c:7]([C:14]([F:15])([F:16])[F:17])[cH:8][c:9]([CH:12]=[O:13])[c:10]2[cH:11]1.[OH:27][CH2:28][c:29]1[n:30]([S:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)(=[O:38])=[O:39])[c:40]2[c:41]([cH:42]1)[c:43]([C:44]([F:45])([F:46])[F:47])[cH:48][c:49]([CH:50]=[O:51])[cH:52]2>>[OH:1][CH2:2][c:3]1[n:4]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]2[cH:6][c:7]([C:14]([F:15])([F:16])[F:17])[cH:8][c:9]([CH2:12][N:60]3[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]3)[c:10]2[cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-8038278fd1a74329b7593557e6f91971
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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