Acetic Acid → HCID 21093614, compound
Reaction equation
[C:68]([OH:69])(=[O:70])[CH3:71].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH:21]=[CH2:22])[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH3:66][OH:67].[CH:23]12[CH2:24][CH2:25][CH2:26][CH:27]([BH:28]1)[CH2:29][CH2:30][CH2:31]2.[F:32][c:33]1[cH:34][c:35]([I:39])[cH:36][cH:37][cH:38]1.[NH2:61][CH2:62][CH2:63][OH:64].[Na+:60].[OH-:59].[OH2:65].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([CH2:21][CH2:22][c:35]2[cH:34][c:33]([F:32])[cH:38][cH:37][cH:36]2)[CH2:10][N:11]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-6f836e1a921241509f02060164945089
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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