Water → 6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinonitrile

HRID 208359

Reaction equation

HRID 208359 reaction equation
[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:15][c:16]1[n:17][n:18][c:19]([Cl:26])[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]12.[N:1]1([c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[OH2:41]>>[N:1]1([c:7]2[n:8][cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[CH2:2][CH2:3][N:4]([c:19]2[n:18][n:17][c:16]([Cl:15])[c:25]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 784901,4-DichlorophthalazineHCID 27371846-(Piperazin-1-yl)pyridine-3-carbonitrile

Product 1

HCID 441863796-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinonitrile

Sources & evidence

ORD record
ord-809d97dd222e4f9fb7d0d8bf35b885dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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