Sodium ion → 4-[1-(3,6-Dichloro-5-hydroxymethyl-pyrazin-2-yl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl ester

HRID 2150197Notes

Reaction equation

HRID 2150197 reaction equation
[BH4-:45].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:1][c:2]1[c:3]([C:29](=[O:30])[OH:31])[n:4][c:5]([Cl:28])[c:6]([N:8]2[CH2:9][CH2:10][C:11](=[N:14][O:15][CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][CH:25]([CH3:26])[CH3:27])[CH2:20][CH2:21]3)[CH2:12][CH2:13]2)[n:7]1.[Cl:39][C:40]([O:41][CH2:42][CH3:43])=[O:44].[Na+:46].[OH2:52]>>[Cl:1][c:2]1[c:3]([CH2:29][OH:30])[n:4][c:5]([Cl:28])[c:6]([N:8]2[CH2:9][CH2:10][C:11](=[N:14][O:15][CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][CH:25]([CH3:26])[CH3:27])[CH2:20][CH2:21]3)[CH2:12][CH2:13]2)[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 28123BorohydrideHCID 866550143,6-Dichloro-5-[4-(1-isopropoxycarbonyl-piperidin-4-yloxyimino)-piperidin-1-yl]-pyrazine-2-carboxylic acid

Product 1

HCID 583336024-[1-(3,6-Dichloro-5-hydroxymethyl-pyrazin-2-yl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl ester

Sources & evidence

ORD record
ord-6021d19f31274de48a93280bd23d87f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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