Propanal → HCID 69341450, compound
Reaction equation
[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[cH:13][c:14]([NH:18][CH2:19][CH2:20][CH3:21])[cH:15][cH:16][cH:17]2)[N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH2:29][O:30][CH3:31])[CH2:26][CH2:27]2)[cH:9][cH:10]1)=[O:32])[CH2:33][CH3:34].[CH:67](=[O:68])[CH2:69][CH3:70].[F:71][C:72]([F:73])([F:74])[C:75]([OH:76])=[O:77].[NH2:35][c:36]1[cH:37][c:38]([CH:39]([N:40]2[CH2:41][CH2:42][N:43]([CH2:62][CH2:63][CH2:64][O:65][CH3:66])[CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][c:49]([C:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])=[O:56])[cH:57][cH:58]2)[cH:59][cH:60][cH:61]1>>[CH2:1]([CH3:2])[N:3]([C:4]([c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[cH:13][c:14]([NH:18][CH2:19][CH2:20][CH3:21])[cH:15][cH:16][cH:17]2)[N:22]2[CH2:23][CH2:24][N:25]([CH2:62][CH2:63][CH2:64][O:65][CH3:66])[CH2:26][CH2:27]2)[cH:9][cH:10]1)=[O:32])[CH2:33][CH3:34]Participants
5
Sources & evidence
- ORD record
- ord-e98c21c2204e4870836fb710bb9561b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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