2-Butenedioic acid → HCID 14575472, compound

HRID 683249Notes

Reaction equation

HRID 683249 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH3:12])[cH:10][cH:11]1.[C:13]([OH:14])(=[O:15])[CH:16]=[CH:17][C:18]([OH:19])=[O:20].[CH2:21]([CH3:22])[N:23]([c:24]1[s:25][c:26]2[c:27]([n:28]1)[cH:29][cH:30][cH:31][cH:32]2)[CH:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[I-:46].[K+:45].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[CH2:2]([CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH3:12])[cH:10][cH:11]1)[N:36]1[CH2:35][CH2:34][CH:33]([N:23]([CH2:21][CH3:22])[c:24]2[s:25][c:26]3[c:27]([n:28]2)[cH:29][cH:30][cH:31][cH:32]3)[CH2:38][CH2:37]1

Participants

9

Reactant 8

HCID 7232-Butenedioic acidHCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 177796Benzene, 1-(3-bromopropoxy)-4-methyl-HCID 14575279HCID 14575279, compound

Product 1

HCID 14575472HCID 14575472, compound

Sources & evidence

ORD record
ord-37c7456cbe7b40ce89bd15c2e062d2d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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