Acetic Acid → HCID 11532852, compound

HRID 664085Notes

Reaction equation

HRID 664085 reaction equation
[C:34]([BH3-:35])#[N:36].[CH2:49]([Cl:50])[Cl:51].[CH3:1][CH:2]([CH2:3][CH:4]=[O:5])[c:6]1[n:7][n:8][c:9]([NH:11][C:12]([CH:13]([CH2:14][CH2:15][CH3:16])[NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]2)=[O:28])=[O:29])[s:10]1.[CH3:30][CH:31]([CH3:32])[NH2:33].[CH3:52][C:53](=[O:54])[OH:55].[Cl:45][CH:46]([Cl:47])[CH3:48].[Na+:37].[Na+:38].[Na+:39].[O-:40][S:41](=[O:42])(=[O:43])[O-:44]>>[CH3:1][CH:2]([CH2:3][CH2:4][NH:33][CH:31]([CH3:30])[CH3:32])[c:6]1[n:7][n:8][c:9]([NH:11][C:12]([CH:13]([CH2:14][CH2:15][CH3:16])[NH:17][C:18]([CH2:19][c:20]2[cH:21][c:22]([F:27])[cH:23][c:24]([F:26])[cH:25]2)=[O:28])=[O:29])[s:10]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 6363IsopropylamineHCID 63651,1-DichloroethaneHCID 498716Cyano-borohydrideHCID 11711548HCID 11711548, compound

Product 1

HCID 11532852HCID 11532852, compound

Sources & evidence

ORD record
ord-8799fad8be3147d4b6d7e43ed0c83081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…