Ethanol → HCID 69585635, compound

HRID 152561Notes

Reaction equation

HRID 152561 reaction equation
[BH4-:43].[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][CH:14]([CH2:17][NH2:18])[N:13]([CH:19]([CH3:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:12]2.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][C:53]([O:54][C:55]([O:56][C:57]([O:58][C:59]([CH3:60])([CH3:61])[CH3:62])=[O:63])=[O:64])([CH3:65])[CH3:66].[CH3:67][CH2:68][OH:69].[CH3:70][N:71]([c:72]1[cH:73][cH:74][n:75][cH:76][cH:77]1)[CH3:78].[Na+:44].[O:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[c:35]1[cH:36][cH:37][c:38]([CH:39]=[O:40])[cH:41][cH:42]1>>[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][CH:14]([CH2:17][NH:18][CH2:39][c:38]1[cH:37][cH:36][c:35]([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:42][cH:41]1)[N:13]([CH:19]([CH3:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:12]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 28123BorohydrideHCID 661394-PhenoxybenzaldehydeHCID 90495Di-tert-butyl dicarbonateHCID 69560152HCID 69560152, compound

Product 1

HCID 69585635HCID 69585635, compound

Sources & evidence

ORD record
ord-5590836f1e0a4c3590707ddb3e494a78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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