Toluene → HCID 20285412, compound

HRID 2160505Notes

Reaction equation

HRID 2160505 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]([C:10]([CH2:11][C:12]#[N:13])=[O:14])[cH:7][cH:8][cH:9]1.[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[c:22]1([N:28]=[C:29]=[O:30])[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]([C:10]([CH:11]([C:12]#[N:13])[C:29]([NH:28][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:30])=[O:14])[cH:7][cH:8][cH:9]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 20285417HCID 20285417, compound

Product 1

HCID 20285412HCID 20285412, compound

Sources & evidence

ORD record
ord-c6fce07620c7401db894e25eb2458bca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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