Ammonium → HCID 19823811, compound

HRID 670532Notes

Reaction equation

HRID 670532 reaction equation
[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][OH:69].[CH:19]([N-:20][CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:32]([NH:33][CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[CH:39]1([CH:45]=[O:46])[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[CH:49]#[N:50].[Cl-:47].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH:13]([C:14]#[N:15])[N:16]([CH3:17])[CH3:18])[CH2:10][CH2:11][CH2:12]2)[cH:5][cH:6][c:7]1[Cl:8].[Li+:26].[Li:27][CH2:28][CH2:29][CH2:30][CH3:31].[NH4+:48].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH:51][C:52]([C:53](=[O:54])[OH:55])=[O:56]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([CH:13]([N:16]([CH3:17])[CH3:18])[C:45]([CH:39]3[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]3)=[O:46])[CH2:10][CH2:11][CH2:12]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

14

Reactant 13

HCID 223AmmoniumHCID 312ChlorideHCID 768Hydrogen CyanideHCID 887MethanolHCID 971Oxalic AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 16275CyclohexanecarboxaldehydeHCID 28486Lithium ionHCID 5062348DiisopropylamideHCID 19823851HCID 19823851, compoundHCID 178418339Butyllithium

Product 1

HCID 19823811HCID 19823811, compound

Sources & evidence

ORD record
ord-932ad9b61d1d41afb46f6317506c7ef8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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