Benzene → HCID 20525976, compound

HRID 195653Notes

Reaction equation

HRID 195653 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([CH2:39][OH:40])[CH:11]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:12]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:14]1.[CH3:67][S:68]([CH3:69])=[O:70].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[CH:46]1([N:47]=[C:48]=[N:49][CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[OH:61][C:62]([C:63](=[O:64])[OH:65])=[O:66].[P:41](=[O:42])([OH:43])([OH:44])[OH:45].[cH:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([CH:39]=[O:40])[CH:11]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[CH:12]([O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:13]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:14]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 971Oxalic AcidHCID 1004Phosphoric AcidHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 20525982HCID 20525982, compound

Product 1

HCID 20525976HCID 20525976, compound

Sources & evidence

ORD record
ord-3098f88d539847a4a4abc6a8dad405f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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