2,3-Dihydroxybutanedioic Acid → HCID 67243306, compound

HRID 2347784

Reaction equation

HRID 2347784 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[C:20]([CH:21]([CH:22]([C:23]([OH:24])=[O:25])[OH:26])[OH:27])([OH:28])=[O:29].[CH3:30][c:31]1[n:32][n:33]([CH2:37][CH2:38][CH2:39][NH2:40])[c:34]([CH3:36])[cH:35]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:48][C:49]#[N:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:40][CH2:39][CH2:38][CH2:37][n:33]2[n:32][c:31]([CH3:30])[cH:35][c:34]2[CH3:36])[C:9]1=[O:10]

Participants

6

Reactant 5

HCID 8752,3-Dihydroxybutanedioic AcidHCID 6342AcetonitrileHCID 8471TriethylamineHCID 20567833-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amineHCID 672426272-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 67243306HCID 67243306, compound

Sources & evidence

ORD record
ord-84ec7c1f89084f56ac9c17d21b00cb01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

Loading…