Acetic Acid → HCID 18348477, compound
Reaction equation
[C:52]([O:53][BH-:54]([O:55][C:56](=[O:57])[CH3:58])[O:59][C:60](=[O:61])[CH3:62])(=[O:63])[CH3:64].[CH3:37][O:38][CH2:39][c:40]1[c:41]([CH:42]=[O:43])[cH:44][cH:45][cH:46][cH:47]1.[CH3:48][C:49](=[O:50])[OH:51].[NH2:1][CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1.[Na+:65].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1>>[NH:1]([CH2:2][c:3]1[n:4][c:5]([NH:22][CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:6]2[n:7][cH:8][n:9]([CH:12]3[O:13][CH:14]([CH2:19][O:20][CH3:21])[CH:15]([OH:18])[CH:16]3[OH:17])[c:10]2[n:11]1)[CH2:42][c:41]1[c:40]([CH2:39][O:38][CH3:37])[cH:47][cH:46][cH:45][cH:44]1Participants
7
Sources & evidence
- ORD record
- ord-99423576bb304cfc8c1789d9a4f5f59f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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