Ethyl Acetate → Yze9gcm2BB

HRID 86596

Reaction equation

HRID 86596 reaction equation
[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:47][N:48]1[CH2:49][CH2:50][CH2:51][C:52]1=[O:53].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12.[OH:25][CH:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[c:2]1([N:29]2[CH2:28][CH2:27][CH:26]([OH:25])[CH2:31][CH2:30]2)[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 79341Piperidin-4-olHCID 81531DiisopropylethylamineHCID 104510651-Chloro-4-((3-chloro-4-methoxybenzyl)amino)-6-phthalazinecarbonitrile

Product 1

HCID 9888568Yze9gcm2BB

Sources & evidence

ORD record
ord-782dffb0c8524d76aea7ee02075715fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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