Hydrochloric Acid → Hydrochloric Acid

HRID 1562541Notes

Reaction equation

HRID 1562541 reaction equation
[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl:10][c:11]1[n:12][n:13][c:14]([NH:23][CH2:24][c:25]2[cH:26][c:27]([Cl:33])[c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:15]2[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][c:20]12.[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([C:8]#[N:9])[CH2:6][CH2:7]1>>[ClH:10].[N:2]1([c:11]2[n:12][n:13][c:14]([NH:23][CH2:24][c:25]3[cH:26][c:27]([Cl:33])[c:28]([O:31][CH3:32])[cH:29][cH:30]3)[c:15]3[cH:16][c:17]([C:21]#[N:22])[cH:18][cH:19][c:20]23)[CH2:3][CH2:4][CH:5]([C:8]#[N:9])[CH2:6][CH2:7]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 1382234-CyanopiperidineHCID 104510651-Chloro-4-((3-chloro-4-methoxybenzyl)amino)-6-phthalazinecarbonitrile

Product 2

HCID 313Hydrochloric AcidHCID 9954533HCID 9954533, compound

Sources & evidence

ORD record
ord-aeded81089754722bba92b0149a16dbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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