Acetic Acid → HCID 178483589, compound

HRID 1559408Notes

Reaction equation

HRID 1559408 reaction equation
[C:43]([OH:44])(=[O:45])[CH3:46].[C:72]([O:73][BH-:74]([O:75][C:76](=[O:77])[CH3:78])[O:79][C:80](=[O:81])[CH3:82])(=[O:83])[CH3:84].[CH3:70][OH:71].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([O:26][C:27]([NH:28][c:29]3[c:30](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31][cH:32][cH:33][cH:34]3)=[O:41])[CH2:24][CH2:25]2)[CH3:42])[cH:7][cH:8]1.[Cl:86][CH2:87][Cl:88].[NH2:47][CH2:48][CH:49]([O:50][Si:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])[c:58]1[c:59]2[cH:60][cH:61][c:62](=[O:69])[nH:63][c:64]2[c:65]([OH:68])[cH:66][cH:67]1.[Na+:85].[OH2:89]>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([O:26][C:27]([NH:28][c:29]3[c:30](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:31][cH:32][cH:33][cH:34]3)=[O:41])[CH2:24][CH2:25]2)[CH3:42])[cH:7][cH:8]1)[NH:47][CH2:48][CH:49]([O:50][Si:51]([CH3:52])([CH3:53])[C:54]([CH3:55])([CH3:56])[CH3:57])[c:58]1[c:59]2[cH:60][cH:61][c:62](=[O:69])[nH:63][c:64]2[c:65]([OH:68])[cH:66][cH:67]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6344DichloromethaneHCID 2724942TriacetoxyborohydrideHCID 218806025-[2-amino-1-[tert-butyl(dimethyl)silyl]oxyethyl]-8-hydroxy-1H-quinolin-2-oneHCID 86646959Biphenyl-2-ylcarbamic Acid 1-(2-{[3-(4-Formylphenylcarbamoyl)-propyl]methylcarbamoyl}ethyl)piperidin-4-yl Ester

Product 1

HCID 178483589HCID 178483589, compound

Sources & evidence

ORD record
ord-e93dea363882427ba2d703e420d5831a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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