Bicarbonate Ion → HCID 68572892, compound

HRID 1202148Notes

Reaction equation

HRID 1202148 reaction equation
[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[H-:49].[N+:38](=[O:39])([O-:40])[c:41]1[cH:42][c:43]([CH2:44][Cl:45])[cH:46][cH:47][cH:48]1.[Na+:50].[Na+:51].[OH:1][CH:2]1[CH2:3][N:4]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1.[OH:52][C:53](=[O:54])[O-:55]>>[O:1]([CH:2]1[CH2:3][N:4]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:5][CH2:6][CH:7]1[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][O:18][CH2:19][c:20]2[c:21]([O:26][CH3:27])[cH:22][cH:23][cH:24][cH:25]2)[cH:12][cH:13]1)[CH2:44][c:43]1[cH:42][c:41]([N+:38](=[O:39])[O-:40])[cH:48][cH:47][cH:46]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 12078alpha-Chloro-m-nitrotolueneHCID 166653HydrideHCID 68499596Benzyl 3-hydroxy-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

Product 1

HCID 68572892HCID 68572892, compound

Sources & evidence

ORD record
ord-e5c68566b6ff45c0bbd0f93d8220ee83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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