Acetic Acid → HCID 178437507, compound
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[cH:22][c:23]([C:27](=[O:28])[NH:29][CH2:30][c:31]3[c:32]([NH:44][CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[c:33]4[c:34]([n:35][c:36]3[CH2:37][CH3:38])[n:39]([CH2:42][CH3:43])[n:40][cH:41]4)[cH:24][cH:25][cH:26]2)[cH:7][c:8]1-[c:9]1[cH:10][c:11]([CH:15]=[O:16])[cH:12][cH:13][cH:14]1.[C:59]([O:60][BH-:61]([O:62][C:63](=[O:64])[CH3:65])[O:66][C:67](=[O:68])[CH3:69])(=[O:70])[CH3:71].[C:73]([OH:74])(=[O:75])[CH3:76].[CH3:51][CH:52]1[NH:53][CH:54]([CH3:58])[CH2:55][NH:56][CH2:57]1.[Cl:77][CH2:78][Cl:79].[Na+:72]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:17][NH:18][C:19](=[O:20])[c:21]2[cH:22][c:23]([C:27](=[O:28])[NH:29][CH2:30][c:31]3[c:32]([NH:44][CH:45]4[CH2:46][CH2:47][O:48][CH2:49][CH2:50]4)[c:33]4[c:34]([n:35][c:36]3[CH2:37][CH3:38])[n:39]([CH2:42][CH3:43])[n:40][cH:41]4)[cH:24][cH:25][cH:26]2)[cH:7][c:8]1-[c:9]1[cH:10][c:11]([CH2:15][N:56]2[CH2:55][CH:54]([CH3:58])[NH:53][CH:52]([CH3:51])[CH2:57]2)[cH:12][cH:13][cH:14]1Participants
7
Sources & evidence
- ORD record
- ord-cc3c22b817b54e8d96f352f1284a461e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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