Chloride → HCID 178510607, compound

HRID 1575749Notes

Reaction equation

HRID 1575749 reaction equation
[CH2:28]([CH:29]([CH2:30][CH2:31][CH2:32][CH3:33])[C:34]([O-:35])=[O:36])[CH3:37].[Cl-:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH:14]4[C:15](=[O:20])[O:16][CH:17]([CH2:18]3)[CH2:19]4)[CH2:9][CH2:10]2)[cH:6][cH:7]1.[ClH:21].[ClH:39].[NH2:22][C:23]1([C:26]#[N:27])[CH2:24][CH2:25]1.[Na+:38].[Na+:40].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH2:42]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:11](=[O:12])[N:13]3[CH:14]([C:15](=[O:20])[NH:22][C:23]4([C:26]#[N:27])[CH2:24][CH2:25]4)[CH2:19][CH:17]([OH:16])[CH2:18]3)[CH2:9][CH2:10]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 313Hydrochloric Acid2×HCID 923Sodium ion2×HCID 962WaterHCID 8028TetrahydrofuranHCID 5568881-AminocyclopropanecarbonitrileHCID 40723562-EthylhexanoateHCID 178519026HCID 178519026, compound

Product 1

HCID 178510607HCID 178510607, compound

Sources & evidence

ORD record
ord-d339d99204544d34b301041a7eff29ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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