Benzene → HCID 178521519, compound

HRID 2323914Notes

Reaction equation

HRID 2323914 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:13](=[O:14])[N:15]2[CH:16]([CH:20]([CH2:21][S:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[OH:29])[CH2:17][CH2:18][CH2:19]2)[CH2:30][CH2:31][CH2:32]1.[CH3:61][S:62]([CH3:63])=[O:64].[CH3:71][OH:72].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:73].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39].[OH:55][C:56]([C:57](=[O:58])[OH:59])=[O:60].[cH:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[cH:80]1[cH:81][cH:82][n:83][cH:84][cH:85]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([C:13](=[O:14])[N:15]2[CH:16]([C:20]([CH2:21][S:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)=[O:29])[CH2:17][CH2:18][CH2:19]2)[CH2:30][CH2:31][CH2:32]1

Participants

11

Reactant 10

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 962WaterHCID 971Oxalic AcidHCID 1049PyridineHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 10868DicyclohexylcarbodiimideHCID 178525115HCID 178525115, compound

Product 1

HCID 178521519HCID 178521519, compound

Sources & evidence

ORD record
ord-c239eef0fcb54416badbb5f4cbcd518c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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