Benzaldehyde → HCID 69585544, compound

HRID 113071Notes

Reaction equation

HRID 113071 reaction equation
[BH4-:36].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:27])[s:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([CH:17]([CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:12]2[CH2:25][NH2:26].[C:51](=[O:52])([OH:53])[O-:54].[CH3:47][C:48]([Cl:49])=[O:50].[CH3:56][CH2:57][OH:58].[CH:28](=[O:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:59][CH2:60][Cl:61].[Na+:37].[Na+:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([NH2:27])[s:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([CH:17]([CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:12]2[CH2:25][N:26]([CH2:28][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[C:48]([CH3:47])=[O:50]

Participants

10

Reactant 9

HCID 240BenzaldehydeHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 28123BorohydrideHCID 81531DiisopropylethylamineHCID 69558946HCID 69558946, compound

Product 1

HCID 69585544HCID 69585544, compound

Sources & evidence

ORD record
ord-2014e1ebadc1462fa5929414ba696f30
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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