Acetate → HCID 144211191, compound

HRID 687945Notes

Reaction equation

HRID 687945 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH:15][c:16]2[n:17][c:18](-[c:28]3[cH:29][n:30][n:31]([CH3:33])[cH:32]3)[c:19]([C:24](=[O:25])[O:26][CH3:27])[c:20]([CH:22]=[O:23])[n:21]2)[CH2:11][CH2:12][CH2:13][CH2:14]1.[C:51]([BH3-:52])#[N:53].[CH3:34][O:35][c:36]1[c:37]([CH2:44][NH2:45])[cH:38][cH:39][c:40]([O:42][CH3:43])[cH:41]1.[CH3:47][C:48](=[O:49])[O-:50].[CH3:58][OH:59].[Cl:55][CH2:56][Cl:57].[Na+:46].[Na+:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH:10]([NH:15][c:16]2[n:17][c:18](-[c:28]3[cH:29][n:30][n:31]([CH3:33])[cH:32]3)[c:19]3[c:20]([n:21]2)[CH2:22][N:45]([CH2:44][c:37]2[c:36]([O:35][CH3:34])[cH:41][c:40]([O:42][CH3:43])[cH:39][cH:38]2)[C:24]3=[O:25])[CH2:11][CH2:12][CH2:13][CH2:14]1

Participants

8

Reactant 7

HCID 175AcetateHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 498716Cyano-borohydrideHCID 5972502,4-DimethoxybenzylamineHCID 178498596HCID 178498596, compound

Product 1

HCID 144211191HCID 144211191, compound

Sources & evidence

ORD record
ord-6d57b14817584aa5bb79f5b624884060
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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