Acetic Acid → HCID 67224204, compound

HRID 1552044Notes

Reaction equation

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:38][C:39](=[O:40])[OH:41].[Cl:29][c:30]1[cH:31][cH:32][c:33]([CH:34]=[O:35])[cH:36][cH:37]1.[Cl:42][CH2:43][Cl:44].[NH2:15][c:16]1[cH:17][cH:18][c:19]2[c:24]([cH:25]1)[C:23](=[O:26])[NH:22][CH2:21][C:20]2([CH3:27])[CH3:28].[Na+:14]>>[NH:15]([c:16]1[cH:17][cH:18][c:19]2[c:24]([cH:25]1)[C:23](=[O:26])[NH:22][CH2:21][C:20]2([CH3:27])[CH3:28])[CH2:34][c:33]1[cH:32][cH:31][c:30]([Cl:29])[cH:37][cH:36]1

Participants

Reactant 6

HCID 176Acetic Acid

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 77264-Chlorobenzaldehyde

HCID 2724942Triacetoxyborohydride

HCID 219596427-Amino-4,4-dimethyl-3,4-dihydroisoquinolin-1(2h)-one

Product 1

HCID 67224204HCID 67224204, compound

Sources & evidence

ORD record: ord-49efe2b477d6418bbc10717afd28b74d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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