Acetic Acid → HCID 57849588, compound

HRID 1205809Notes

Reaction equation

HRID 1205809 reaction equation
[C:28]([O:29][BH-:30]([O:31][C:38](=[O:32])[CH3:39])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:40].[CH3:42][C:43](=[O:44])[OH:45].[CH3:50][C:51](=[O:52])[CH3:53].[Cl:46][CH:47]([Cl:48])[CH3:49].[Cl:54][CH2:55][Cl:56].[Na+:41].[c:1]1([CH:7]2[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([Cl:27])[cH:22][cH:23][c:24]([CH3:26])[cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11][NH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]2[CH2:8][N:9]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([Cl:27])[cH:22][cH:23][c:24]([CH3:26])[cH:25]4)[cH:18][cH:19]3)[CH2:10][CH2:11][N:12]2[CH:38]([CH3:39])[CH3:42])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ionHCID 6344DichloromethaneHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 57849464HCID 57849464, compound

Product 1

HCID 57849588HCID 57849588, compound

Sources & evidence

ORD record
ord-cb85d34186e24ba7a3c1f69dcbcb9300
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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