Acetic Acid → HCID 46831175, compound

HRID 2139376Notes

Reaction equation

HRID 2139376 reaction equation
[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[CH2:33]=[O:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:56][OH:57].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([O:25][CH2:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[cH:23][cH:24]4)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1.[Cl:53][CH2:54][Cl:55].[Na+:52]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10](-[n:16]3[cH:17][n:18][c:19]4[c:20]3[cH:21][c:22]([O:25][CH2:26][CH:27]3[CH2:28][CH2:29][N:30]([CH3:35])[CH2:31][CH2:32]3)[cH:23][cH:24]4)[s:11][c:12]2[C:13](=[O:14])[NH2:15])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 46831174HCID 46831174, compound

Product 1

HCID 46831175HCID 46831175, compound

Sources & evidence

ORD record
ord-ce8adaf1cd1146c8931076102293167f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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