1-Butanol → HCID 178424068, compound

HRID 296946Notes

Reaction equation

HRID 296946 reaction equation
[CH2:40]([OH:41])[CH2:42][CH2:43][CH3:44].[CH3:27][c:28]1[c:29]([NH2:39])[cH:30][c:31](-[c:34]2[n:35][n:36][cH:37][nH:38]2)[cH:32][cH:33]1.[CH:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH3:24])([CH3:25])[CH3:26].[Cl:1][c:2]1[c:3]([N+:15](=[O:16])[O-:17])[c:4]([N:8]([CH3:9])[CH2:10][C:11]([CH3:12])([CH3:13])[CH3:14])[n:5][cH:6][n:7]1>>[c:2]1([NH:39][c:29]2[c:28]([CH3:27])[cH:33][cH:32][c:31](-[c:34]3[n:35][n:36][cH:37][nH:38]3)[cH:30]2)[c:3]([N+:15](=[O:16])[O-:17])[c:4]([N:8]([CH3:9])[CH2:10][C:11]([CH3:12])([CH3:13])[CH3:14])[n:5][cH:6][n:7]1

Participants

5

Reactant 4

HCID 2631-ButanolHCID 81531DiisopropylethylamineHCID 58928507(6-Chloro-5-nitro-pyrimidin-4-yl)-(2,2-dimethyl-propyl)-methyl-amineHCID 178424064HCID 178424064, compound

Product 1

HCID 178424068HCID 178424068, compound

Sources & evidence

ORD record
ord-e9b15df4e28045048c4471dda5fd13ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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