2-Butenedioic acid → 2-Butenedioic acid

HRID 1202765Notes

Reaction equation

HRID 1202765 reaction equation
[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[C:9]([OH:10])(=[O:11])[CH:12]=[CH:13][C:14]([OH:15])=[O:16].[CH2:42]([SiH:43]([CH2:44][CH3:45])[CH2:46][CH3:47])[CH3:48].[Na+:57].[OH-:56].[OH2:58].[OH:17][CH:18]([CH3:19])[c:20]1[cH:21][cH:22][c:23]([N:26]2[CH2:27][CH2:28][CH:29]([N:32]([CH2:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH3:41])[CH2:30][CH2:31]2)[cH:24][cH:25]1.[OH:49][C:50]([C:51]([F:52])([F:53])[F:54])=[O:55]>>[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[CH2:18]([CH3:19])[c:20]1[cH:21][cH:22][c:23]([N:26]2[CH2:27][CH2:28][CH:29]([N:32]([CH2:33][CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH3:41])[CH2:30][CH2:31]2)[cH:24][cH:25]1

Participants

9

Reactant 7

HCID 7232-Butenedioic acid2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 12052TriethylsilaneHCID 19784390HCID 19784390, compound

Product 2

HCID 7232-Butenedioic acidHCID 19784380HCID 19784380, compound

Sources & evidence

ORD record
ord-4b8ec0bd9d1d4897b5189bf70ff99f55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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