Acetic Acid → HCID 178490852, compound
Reaction equation
[C:80]([O:81][BH-:82]([O:83][C:84](=[O:85])[CH3:86])[O:87][C:88](=[O:89])[CH3:90])(=[O:91])[CH3:92].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9]([NH:10][CH2:11][CH2:12][CH:13]=[O:14])=[O:15])[NH:16][C:17]([O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26].[CH3:76][C:77](=[O:78])[OH:79].[NH2:27][CH:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH:36]([OH:37])[CH:38]1[O:39][CH:40]([n:59]2[c:60](=[O:75])[n:61]([CH2:66][c:67]3[cH:68][cH:69][c:70]([O:73][CH3:74])[cH:71][cH:72]3)[c:62](=[O:65])[cH:63][cH:64]2)[CH:41]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[CH:42]1[O:43][Si:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50].[Na+:93].[O:94]1[CH2:95][CH2:96][CH2:97][CH2:98]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([C:9]([NH:10][CH2:11][CH2:12][CH2:13][NH:27][CH:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH:36]([OH:37])[CH:38]1[O:39][CH:40]([n:59]2[c:60](=[O:75])[n:61]([CH2:66][c:67]3[cH:68][cH:69][c:70]([O:73][CH3:74])[cH:71][cH:72]3)[c:62](=[O:65])[cH:63][cH:64]2)[CH:41]([O:51][Si:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])[CH:42]1[O:43][Si:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[CH3:50])=[O:15])[NH:16][C:17]([O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:26]Participants
7
Sources & evidence
- ORD record
- ord-d8e21f1cddbf408697c9f4e43c5aa046
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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