Ethanol → HCID 86756222, compound

HRID 1221218Notes

Reaction equation

HRID 1221218 reaction equation
[Br:50][c:51]1[cH:52][cH:53][cH:54][c:55]([OH:56])[c:57]1[CH3:58].[C:46]([BH3-:47])#[N:48].[C:59](=[O:60])([O-:61])[OH:62].[CH3:64][CH2:65][OH:66].[CH:1](=[O:2])[CH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][C:11]2([CH3:31])[O:12][c:13]3[c:14]([c:16]([CH3:30])[c:17]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:18]([CH3:21])[c:19]3[CH3:20])[CH2:15]2)[CH2:8][CH2:9]1.[Na+:49].[Na+:63].[c:32]1([CH:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[NH2:45])[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([CH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][C:11]2([CH3:31])[O:12][c:13]3[c:14]([c:16]([CH3:30])[c:17]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[c:18]([CH3:21])[c:19]3[CH3:20])[CH2:15]2)[CH2:8][CH2:9]1)[NH:45][CH:38]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1

Participants

8

Reactant 7

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 7036BenzhydrylamineHCID 498716Cyano-borohydrideHCID 111714303-Bromo-2-methylphenolHCID 53952919HCID 53952919, compound

Product 1

HCID 86756222HCID 86756222, compound

Sources & evidence

ORD record
ord-bfac2d6c56134a4bbc5a469d3ef23486
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…