Toluene → HCID 178459379, compound

HRID 677105Notes

Reaction equation

HRID 677105 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([C:16](=[O:17])[OH:18])[N:8]([C:10](=[O:11])[O:12][CH2:13][CH:14]=[CH2:15])[CH2:9]1.[CH2:33]([O:34][CH:35]1[CH:36]=[CH:37][c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[N:44]1[C:45]([O:46][CH2:47][CH3:48])=[O:49])[CH3:50].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[NH2:19][c:20]1[c:21]([C:22](=[O:23])[O:24][CH2:25][CH:26]=[CH2:27])[c:28]([CH3:32])[cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])(=[O:3])[S:4][CH:5]1[CH2:6][CH:7]([C:16](=[O:18])[NH:19][c:20]2[c:21]([C:22](=[O:23])[O:24][CH2:25][CH:26]=[CH2:27])[c:28]([CH3:32])[cH:29][cH:30][cH:31]2)[N:8]([C:10](=[O:11])[O:12][CH2:13][CH:14]=[CH2:15])[CH2:9]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 278332-Ethoxy-1-(ethoxycarbonyl)-1,2-dihydroquinolineHCID 19432484Allyl 2-amino-6-methylbenzoateHCID 221686314-Acetylsulfanyl-1-prop-2-enoxycarbonylpyrrolidine-2-carboxylic acid

Product 1

HCID 178459379HCID 178459379, compound

Sources & evidence

ORD record
ord-6fe988f11fc146d3bdd3114a6cfa3054
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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