2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid → 4-Nitrophenyl formate

HRID 1558377Notes

Reaction equation

HRID 1558377 reaction equation
[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH:1]12[CH2:2][CH:3]([OH:4])[CH:5]3[CH:6]([CH2:7][CH:8]([OH:28])[C:9]4([CH3:27])[CH:10]3[CH2:11][CH2:12][CH:13]4[CH:14]([CH2:15][CH2:16][C:17]([NH:18][CH2:19][CH2:20][S:21](=[O:22])(=[O:23])[OH:24])=[O:25])[CH3:26])[C:29]1([CH3:30])[CH2:31][CH2:32][CH:33]([OH:34])[CH2:35]2.[Cl:42][C:43](=[O:44])[O:45][c:46]1[cH:47][cH:48][c:49]([N+:52](=[O:53])[O-:54])[cH:50][cH:51]1.[Na:36]>>[CH:43](=[O:44])[O:45][c:46]1[cH:47][cH:48][c:49]([N+:52](=[O:53])[O-:54])[cH:50][cH:51]1

Participants

6

Reactant 5

HCID 52472-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 821294-Nitrophenyl chloroformateHCID 5360545Sodium

Product 1

HCID 746284-Nitrophenyl formate

Sources & evidence

ORD record
ord-49d56cf7b08547dfb542d3dc3617a62a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…