Water → Oxalic Acid

HRID 283512Notes

Reaction equation

HRID 283512 reaction equation
[C:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)(=[O:59])[Cl:60].[C:63]([C:64](=[O:65])[OH:66])(=[O:67])[OH:68].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:74]([OH:75])([CH3:76])[CH3:77].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([NH:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][C:23]([N:24]4[CH2:25][CH2:26][N:27]([CH2:30][c:31]5[cH:32][c:33]6[c:37]([cH:38][cH:39]5)[O:36][CH2:35][O:34]6)[CH2:28][CH2:29]4)=[O:40])[cH:19][cH:20]3)[cH:12][cH:13]2)[cH:41][cH:42][c:43]1[Cl:44].[OH2:61].[OH2:62].[OH2:78]>>[C:63]([C:64](=[O:65])[OH:66])(=[O:67])[OH:68].[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][c:8]2[cH:9][n:10][c:11]([N:14]([c:15]3[cH:16][cH:17][c:18]([CH2:21][CH2:22][C:23]([N:24]4[CH2:25][CH2:26][N:27]([CH2:30][c:31]5[cH:32][c:33]6[c:37]([cH:38][cH:39]5)[O:36][CH2:35][O:34]6)[CH2:28][CH2:29]4)=[O:40])[cH:19][cH:20]3)[C:52]([c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)=[O:59])[cH:12][cH:13]2)[cH:41][cH:42][c:43]1[Cl:44]

Participants

9

Reactant 7

HCID 962Water3×HCID 971Oxalic AcidHCID 3776IsopropanolHCID 7412Benzoyl chlorideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 68523688HCID 68523688, compound

Product 2

HCID 971Oxalic AcidHCID 68525733HCID 68525733, compound

Sources & evidence

ORD record
ord-029d0844434c42f4888d9c5b3b6e921d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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