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Water → 6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinic acid ethyl ester

HRID 190061
Notes
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Reaction equation

HRID 190061 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]2)[cH:9][cH:10]1)=[O:17].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:18][c:19]1[n:20][n:21][c:22]([Cl:29])[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]12.[OH2:44]>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:22]3[n:21][n:20][c:19]([Cl:18])[c:28]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[CH2:15][CH2:16]2)[cH:9][cH:10]1)=[O:17]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 962WaterHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 784901,4-DichlorophthalazineHCID 14987933Ethyl 6-(piperazin-1-yl)nicotinate

Product 1

HCID 57471616
6-[4-(4-Chloro-phthalazin-1-yl)-piperazin-1-yl]-nicotinic acid ethyl ester

Sources & evidence

ORD record
ord-95e5f148c4e34c52a2cb7b65f9184ed5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes