Chloride → HCID 69310125, compound

HRID 311654Notes

Reaction equation

HRID 311654 reaction equation
[Br:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH2:11][CH:12]([CH2:13][CH2:14][N:15]2[CH2:16][CH:17]([N:19]3[CH2:20][CH:21]4[N:22]([CH2:23][CH2:24]3)[C:25](=[O:29])[CH2:26][CH2:27][CH2:28]4)[CH2:18]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1.[C:59]([BH3-:60])#[N:61].[CH3:63][CH2:64][OH:65].[CH3:66][OH:67].[Cl-:68].[Cl-:70].[ClH:1].[ClH:2].[NH:44]1[CH2:45][CH:46]([N:47]2[CH2:48][CH2:49][N:50]3[CH:51]([CH2:53][O:52][CH2:54][C:55]3=[O:56])[CH2:57]2)[CH2:58]1.[Na+:62].[Zn+2:69]>>[Br:3][c:4]1[cH:5][c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH2:11][CH:12]([CH2:13][CH2:14][N:15]2[CH2:16][CH:17]([N:19]3[CH2:20][CH:21]4[N:22]([CH2:23][CH2:24]3)[C:25](=[O:29])[CH2:26][O:52][CH2:28]4)[CH2:18]2)[c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1

Participants

10

Reactant 9

HCID 312Chloride2×HCID 313Hydrochloric Acid2×HCID 702EthanolHCID 887MethanolHCID 923Sodium ionHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 161232908-(azetidin-3-yl)-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-oneHCID 178483512HCID 178483512, compound

Product 1

HCID 69310125HCID 69310125, compound

Sources & evidence

ORD record
ord-c2bdc1f4e0e845ecafbe80842c50cd3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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