1-Butanol → HCID 10322398, compound

HRID 310631Notes

Reaction equation

HRID 310631 reaction equation
[CH2:39]([OH:40])[CH2:41][CH2:42][CH3:43].[CH3:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][O:11][c:12]2[cH:13][c:14]([NH2:18])[cH:15][cH:16][cH:17]2)[CH2:8][CH2:9]1.[Cl:19][c:20]1[n:21][cH:22][cH:23][c:24](-[c:26]2[c:27](-[c:32]3[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]3)[n:28][n:29]([CH3:31])[cH:30]2)[n:25]1.[ClH:1].[ClH:2].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[CH3:3][N:4]1[CH2:5][CH2:6][CH:7]([CH2:10][O:11][c:12]2[cH:13][c:14]([NH:18][c:20]3[n:21][cH:22][cH:23][c:24](-[c:26]4[c:27](-[c:32]5[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]5)[n:28][n:29]([CH3:31])[cH:30]4)[n:25]3)[cH:15][cH:16][cH:17]2)[CH2:8][CH2:9]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 313Hydrochloric Acid2×HCID 312751,4-DioxaneHCID 673254813-[(1-Methylpiperidin-4-yl)methoxy]anilineHCID 713791882-Chloro-4-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]pyrimidine

Product 1

HCID 10322398HCID 10322398, compound

Sources & evidence

ORD record
ord-835cbf6cb3774e3bac95382cfb2bbe36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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