Butyric Acid → HCID 56597053, compound
Reaction equation
[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:37][CH2:38][CH2:39][C:40]([OH:41])=[O:42].[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH:33]([CH3:34])[Cl:35])[C:26](=[O:36])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]>>[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]4[c:28]([cH:29]3)[N:27]([C:30](=[O:31])[O:32][CH:33]([CH3:34])[O:42][C:40]([CH2:39][CH2:38][CH3:37])=[O:41])[C:26](=[O:36])[CH2:25][CH2:24]4)[CH2:13][CH2:14]2)[cH:4][cH:5][cH:6][c:7]1[Cl:8]Participants
5
Sources & evidence
- ORD record
- ord-3ae09eb78d8247d09375ea55de7b2299
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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