Toluene → HCID 178489014, compound

HRID 171730Notes

Reaction equation

HRID 171730 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[n:5][c:6]([NH:9][C:10]([CH:11]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21]([CH:22]([c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[NH2:31])=[O:32])=[O:33])[s:7][cH:8]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[O:43]=[C:44]([Cl:45])[O:46][C:47]([Cl:48])([Cl:49])[Cl:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[C:1]([CH3:2])(=[O:3])[c:4]1[n:5][c:6]([NH:9][C:10]([CH:11]([CH:12]([CH3:13])[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[N:20]2[C:21](=[O:32])[CH:22]([c:23]3[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]3)[NH:31][C:44]2=[O:43])=[O:33])[s:7][cH:8]1

Participants

7

Reactant 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 10426DiphosgeneHCID 81531DiisopropylethylamineHCID 178491220HCID 178491220, compound

Product 1

HCID 178489014HCID 178489014, compound

Sources & evidence

ORD record
ord-cb4889be3e874d26b6aa262cfd2a6bf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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