Acetic Acid → HCID 178494741, compound
Reaction equation
[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)(=[O:44])[N:45]1[CH2:46][CH2:47][C:48](=[O:51])[CH2:49][CH2:50]1.[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].[CH3:66][C:67](=[O:68])[OH:69].[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]>>[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)[CH:48]1[CH2:47][CH2:46][N:45]([C:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)=[O:44])[CH2:50][CH2:49]1Participants
6
Sources & evidence
- ORD record
- ord-eaed217cd32247fd833abcedcb541802
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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