Acetone → HCID 67025697, compound

HRID 1552391Notes

Reaction equation

HRID 1552391 reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:37][C:38](=[O:39])[CH3:40].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([N:21]([C:22]([c:23]3[cH:24][c:25]([C:31]([F:32])([F:33])[F:34])[c:26]([O:29][CH3:30])[cH:27][cH:28]3)=[O:35])[CH3:36])[CH2:10][N:11]([C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[CH2:12]2)[cH:6][cH:7]1.[Cl:62][CH2:63][Cl:64].[N:41].[Na+:55].[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([N:21]([C:22]([c:23]3[cH:24][c:25]([C:31]([F:32])([F:33])[F:34])[c:26]([O:29][CH3:30])[cH:27][cH:28]3)=[O:35])[CH3:36])[CH2:10][N:11]([C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][N:18]([CH:38]([CH3:37])[CH3:40])[CH2:19][CH2:20]3)[CH2:12]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 222AmmoniaHCID 923Sodium ion3×HCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 2724942TriacetoxyborohydrideHCID 67025677HCID 67025677, compound

Product 1

HCID 67025697HCID 67025697, compound

Sources & evidence

ORD record
ord-aa7bbc533ce642d4b5283da4a27ac772
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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