Citric Acid → HCID 178475893, compound

HRID 1223048Notes

Reaction equation

HRID 1223048 reaction equation
[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:34][C:35](=[O:36])[O:37][C:38](=[O:39])[CH3:40].[CH3:54][N:55]([CH3:56])[c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1.[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:75][C:76]#[N:77].[N+:12](=[O:13])([O-:14])[c:15]1[cH:16][cH:17][c:18]([CH2:19][O:20][C:21](=[O:22])[C:23]2=[CH:29][S:28][CH:27]3[N:24]2[C:25](=[O:31])[CH:26]3[Br:30])[cH:32][cH:33]1.[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53].[n:1]1[c:2]([CH:10]=[O:11])[cH:3][n:4]2[c:5]1[CH2:6][S:7][CH2:8][CH2:9]2>>[n:1]1[c:2]([CH:10]([O:11][C:35]([CH3:34])=[O:36])[C:26]2([Br:30])[C:25](=[O:31])[N:24]3[C:23]([C:21]([O:20][CH2:19][c:18]4[cH:17][cH:16][c:15]([N+:12](=[O:13])[O-:14])[cH:33][cH:32]4)=[O:22])=[CH:29][S:28][CH:27]32)[cH:3][n:4]2[c:5]1[CH2:6][S:7][CH2:8][CH2:9]2

Participants

9

Reactant 8

HCID 311Citric AcidHCID 6342AcetonitrileHCID 7918Acetic AnhydrideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 118471325,6-DIHYDRO-8H-IMIDAZO[2,1-C][1,4]THIAZINE-2-CARBALDEHYDEHCID 684433356-Bromo-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid 4-nitro-benzyl ester

Product 1

HCID 178475893HCID 178475893, compound

Sources & evidence

ORD record
ord-4042f27c2c614c3ebf91e285a709e1ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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