2-Mercaptoethanol → HCID 68618326, compound

HRID 1237315Notes

Reaction equation

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

Participants

Reactant 4

HCID 15672-Mercaptoethanol

HCID 6342Acetonitrile

HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene

HCID 68616508tert-butyl N-[[1-benzyl-4-[[(2-nitrophenyl)sulfonyl-propan-2-ylamino]methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcarbamate

Product 1

HCID 68618326HCID 68618326, compound

Sources & evidence

ORD record: ord-6ac9b84bce2242c2a17de6b1e4f763b0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…