Water → Tert-butyl 4-(4-chloropyrido[3,4-d]pyridazin-1-yl)-3-methylpiperazine-1-carboxylate

HRID 86484

Reaction equation

HRID 86484 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][NH:7]1.[CH3:36][N:37]1[CH2:38][CH2:39][CH2:40][C:41]1=[O:42].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[Cl:15][c:16]1[c:17]2[c:18]([c:19]([Cl:22])[n:20][n:21]1)[cH:23][n:24][cH:25][cH:26]2.[OH2:43]>>[CH3:1][CH:2]1[CH2:3][N:4]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:5][CH2:6][N:7]1[c:16]1[c:17]2[c:18]([c:19]([Cl:22])[n:20][n:21]1)[cH:23][n:24][cH:25][cH:26]2

Participants

6

Reactant 5

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylateHCID 122244971,4-Dichloropyrido[4,3-d]pyridazine

Product 1

HCID 76585165Tert-butyl 4-(4-chloropyrido[3,4-d]pyridazin-1-yl)-3-methylpiperazine-1-carboxylate

Sources & evidence

ORD record
ord-7ca7799be8f44f8a8b31b09238079348
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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