Acetic Acid → HCID 59813153, compound

HRID 1236555Notes

Reaction equation

HRID 1236555 reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[CH:28]=[O:29].[CH3:44][C:45](=[O:46])[OH:47].[CH3:58][OH:59].[CH:48]([O:49][CH3:50])([O:51][CH3:52])[O:53][CH3:54].[Cl:55][CH2:56][Cl:57].[Na+:43].[c:1]1([C:7](=[C:8]2[CH2:9][CH:10]3[CH2:11][CH2:12][CH:13]([CH2:14]2)[NH:15]3)[c:16]2[cH:17][s:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[C:8]2[CH2:9][CH:10]3[CH2:11][CH2:12][CH:13]([CH2:14]2)[N:15]3[CH2:28][c:27]2[c:22]([CH3:21])[cH:23][cH:24][cH:25][cH:26]2)[c:16]2[cH:17][s:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 9005Trimethyl orthoformateHCID 107222-MethylbenzaldehydeHCID 2724942TriacetoxyborohydrideHCID 11471554HCID 11471554, compound

Product 1

HCID 59813153HCID 59813153, compound

Sources & evidence

ORD record
ord-0ca67862614346dd9417a614043e376d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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