Acetate → 2-Amino-3-[hexadecoxy(hydroxy)phosphoryl]oxy-propanoic acid
Reaction equation
[CH2:39]([O:40][CH2:41][CH3:42])[CH3:43].[CH2:44]([N:45]([CH2:46][C:47]([OH:48])=[O:49])[CH2:50][C:51]([OH:52])=[O:53])[CH2:54][N:55]([CH2:56][C:57]([OH:58])=[O:59])[CH2:60][C:61]([OH:62])=[O:63].[CH2:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[O:24][P:25](=[O:26])([OH:27])[O:28][CH2:29][CH2:30][N+:31]([CH3:32])([CH3:33])[CH3:34].[CH3:64][C:65](=[O:66])[O-:67].[CH:35]([Cl:36])([Cl:37])[Cl:38].[Ca+2:69].[Cl-:68].[Cl-:70].[NH2:1][CH:2]([CH2:3][OH:4])[C:5]([OH:6])=[O:7]>>[NH2:1][CH:2]([CH2:3][O:4][P:25]([O:24][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])(=[O:26])[OH:27])[C:5]([OH:6])=[O:7]Participants
9
Sources & evidence
- ORD record
- ord-ee0bb3e88c564a0e93176edf963f3c59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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