Neopentylamine → 2,2-dimethyl-N-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)propan-1-amine

HRID 2143151Notes

Reaction equation

HRID 2143151 reaction equation
[CH3:36][C:37]1([CH3:52])[O:38][B:39]([c:44]2[cH:45][c:46]([CH:50]=[O:51])[cH:47][n:48][cH:49]2)[O:40][C:41]1([CH3:42])[CH3:43].[CH3:53][C:54]([CH2:55][NH2:56])([CH3:57])[CH3:58].[CH:1]1([CH2:2][NH:3][CH2:4][c:5]2[cH:6][c:7](-[c:8]3[cH:9][c:10]4[c:11]([c:12]([C:13]([NH2:14])=[O:15])[cH:16]3)[nH:17][cH:18][c:19]4[CH:20]3[CH2:21][CH2:22][N:23]([S:24]([CH2:25][CH3:26])(=[O:27])=[O:28])[CH2:29][CH2:30]3)[cH:31][n:32][cH:33]2)[CH2:34][CH2:35]1>>[CH3:36][C:37]1([CH3:52])[O:38][B:39]([c:44]2[cH:45][c:46]([CH2:50][NH:56][CH2:55][C:54]([CH3:53])([CH3:57])[CH3:58])[cH:47][n:48][cH:49]2)[O:40][C:41]1([CH3:42])[CH3:43]

Participants

4

Reactant 3

HCID 79882NeopentylamineHCID 49926405-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbaldehydeHCID 577327605-(5-{[(cyclopropylmethyl)amino]methyl}-3-pyridinyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Product 1

HCID 574157122,2-dimethyl-N-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)propan-1-amine

Sources & evidence

ORD record
ord-c7f92313e17d4a8f99dcd1527eb8a2e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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