Ammonium → HCID 178495027, compound

HRID 1222159Notes

Reaction equation

[Br:1][c:2]1[n:3][cH:4][cH:5][cH:6][cH:7]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:8](=[O:9])[CH:10]1[CH2:11][N:12]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:13][CH:14]([N:16]([CH2:17][CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[c:23]2[n:24][c:25]3[c:26]([n:27]2[CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]3)[CH2:15]1.[Cl-:45].[NH4+:46]>>[c:2]1([CH:8]([OH:9])[CH:10]2[CH2:11][N:12]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:13][CH:14]([N:16]([CH2:17][CH:18]([CH3:19])[CH3:20])[C:21](=[O:22])[c:23]3[n:24][c:25]4[c:26]([n:27]3[CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[cH:34][cH:35][cH:36][cH:37]4)[CH2:15]2)[n:3][cH:4][cH:5][cH:6][cH:7]1

Participants

Reactant 5

HCID 223Ammonium

HCID 312Chloride

HCID 79732-Bromopyridine

HCID 8028Tetrahydrofuran

HCID 76731630Tert-butyl 3-formyl-5-[[1-(4-methoxybutyl)benzimidazole-2-carbonyl]-(2-methylpropyl)amino]piperidine-1-carboxylate

Product 1

HCID 178495027HCID 178495027, compound

Sources & evidence

ORD record: ord-dc3027bb2b6e4ec0b0b2641a02f74ad4
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…