Sodium ion → HCID 178491307, compound

HRID 205867Notes

Reaction equation

HRID 205867 reaction equation
[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]2)[cH:7]1.[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[CH:25]2[CH2:26][NH:27][CH:28]([CH2:29]1)[CH2:30]2.[CH3:39][C:40]([CH3:41])([O-:42])[CH3:43].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[NH2:31][C:32]([CH2:33][OH:34])([CH2:35][OH:36])[CH2:37][OH:38].[Na+:44].[OH2:45]>>[c:2]1([N:27]2[CH2:26][CH:25]3[N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:29][CH:28]2[CH2:30]3)[cH:3][n:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]2)[cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6503Tris(hydroxymethyl)aminomethaneHCID 2760898(1S,4S)-tert-butyl 2,5-diazabicyclo(2.2.1)heptane-2-carboxylateHCID 45749132-Methylpropan-2-olateHCID 22573906HCID 22573906, compound

Product 1

HCID 178491307HCID 178491307, compound

Sources & evidence

ORD record
ord-f3428c728bb14e2999111ace4341ec08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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