Sodium ion → HCID 178489529, compound

HRID 2348159Notes

Reaction equation

HRID 2348159 reaction equation
[Br:46][CH2:47][C:48]#[N:49].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]3[c:44]([cH:45]2)[NH:43][CH2:42][CH2:41][CH2:40]3)[CH:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][c:26]3[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:64][N:65]1[CH2:66][CH2:67][CH2:68][C:69]1=[O:70].[Na+:55].[Na+:56].[P:50]([O-:51])([O-:52])([OH:53])=[O:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]3[c:44]([cH:45]2)[N:43]([CH2:47][C:48]#[N:49])[CH2:42][CH2:41][CH2:40]3)[CH:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][c:26]3[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1140TolueneHCID 11534BromoacetonitrileHCID 13387N-methyl-2-pyrrolidoneHCID 3681305Hydrogen phosphateHCID 69488852(3RS,4RS)-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-3-(1,2,3,4-tetrahydro-quinolin-7-ylmethoxy)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 178489529HCID 178489529, compound

Sources & evidence

ORD record
ord-42590026a61d4a58b430a080ccf39dfd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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