Citric Acid → 4-[4-[4-[3-[1-(3-Methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]phenyl]benzoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[O:25][CH3:26])[cH:21][cH:22]2)[cH:15][cH:16]1)[CH2:27][C:28](=[O:29])[N:30]1[CH2:31][CH:32]([c:36]2[n:37][c:38]3[c:39]([n:40]2[CH2:41][CH2:42][CH2:43][O:44][CH3:45])[cH:46][cH:47][cH:48][cH:49]3)[CH2:33][CH2:34][CH2:35]1.[CH3:71][C:72]#[N:73].[CH3:74][OH:75].[Li+:56].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:55].[OH2:70].[OH:57][C:58]([CH2:59][C:60]([C:61](=[O:62])[OH:63])([CH2:64][C:65](=[O:66])[OH:67])[OH:68])=[O:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23](=[O:24])[OH:25])[cH:21][cH:22]2)[cH:15][cH:16]1)[CH2:27][C:28](=[O:29])[N:30]1[CH2:31][CH:32]([c:36]2[n:37][c:38]3[c:39]([n:40]2[CH2:41][CH2:42][CH2:43][O:44][CH3:45])[cH:46][cH:47][cH:48][cH:49]3)[CH2:33][CH2:34][CH2:35]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fbdc380d5a1b4ad99c877e47eddc0b07
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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