2,3-Dihydroxybutanedioic Acid → HCID 178520067, compound

HRID 289297Notes

Reaction equation

HRID 289297 reaction equation
[C:35]([CH3:37])([CH3:38])([O:39][OH:36])[CH3:40].[C:41]([OH:42])(=[O:43])[CH:44]([CH:45]([C:46]([OH:47])=[O:48])[OH:49])[OH:50].[C:61]([Cl:62])([Cl:63])([Cl:64])[Cl:65].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:66][CH:67]([CH3:68])[O-:69].[CH3:71][CH:72]([CH3:73])[O-:74].[CH3:75][CH:76]([CH3:77])[O-:78].[CH3:79][CH:80]([CH3:81])[O-:82].[Cl:51][CH2:52][Cl:53].[Ti+4:70].[c:1]1([C:7]([n:8]2[n:9][c:10](-[c:13]3[cH:14][c:15]([CH:19]=[CH:20][CH2:21][OH:22])[cH:16][cH:17][cH:18]3)[n:11][n:12]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([n:8]2[n:9][c:10](-[c:13]3[cH:14][c:15]([CH:19]4[CH:20]([CH2:21][OH:22])[O:39]4)[cH:16][cH:17][cH:18]3)[n:11][n:12]2)([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 8752,3-Dihydroxybutanedioic AcidHCID 1140TolueneHCID 5943Carbon TetrachlorideHCID 6344DichloromethaneHCID 6410tert-Butyl hydroperoxideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 53917552HCID 53917552, compound

Product 1

HCID 178520067HCID 178520067, compound

Sources & evidence

ORD record
ord-820c4e2497814ec7812837e9361794e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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