Acetic Acid → HCID 44193348, compound
Reaction equation
[C:57]([O:58][BH-:59]([O:60][C:61](=[O:62])[CH3:63])[O:64][C:65](=[O:66])[CH3:67])(=[O:68])[CH3:69].[CH3:50][N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[CH3:71][C:72](=[O:73])[OH:74].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[n:21][c:22]([C:26](=[O:27])[NH:28][CH2:29][c:30]3[c:31]([NH:43][CH:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[c:32]4[c:33]([n:34][c:35]3[CH2:36][CH3:37])[n:38]([CH2:41][CH3:42])[n:39][cH:40]4)[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][c:10]([CH:14]=[O:15])[cH:11][cH:12][cH:13]1.[Cl:75][CH2:76][Cl:77].[Na+:70]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:16][NH:17][C:18](=[O:19])[c:20]2[n:21][c:22]([C:26](=[O:27])[NH:28][CH2:29][c:30]3[c:31]([NH:43][CH:44]4[CH2:45][CH2:46][O:47][CH2:48][CH2:49]4)[c:32]4[c:33]([n:34][c:35]3[CH2:36][CH3:37])[n:38]([CH2:41][CH3:42])[n:39][cH:40]4)[cH:23][cH:24][cH:25]2)[cH:6][c:7]1-[c:8]1[cH:9][c:10]([CH2:14][N:54]2[CH2:53][CH2:52][N:51]([CH3:50])[CH2:56][CH2:55]2)[cH:11][cH:12][cH:13]1Participants
7
Sources & evidence
- ORD record
- ord-2afe0eef1f12427a9c811901b8741f5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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