Toluene → HCID 70150448, compound

HRID 2326354Notes

Reaction equation

HRID 2326354 reaction equation
[CH2:24]([CH3:25])[N:26]=[C:27]=[O:28].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:11][CH2:12][CH2:13][OH:14])[cH:15][cH:16]2)[n:2][cH:3][cH:4][cH:5]1>>[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:11][CH2:12][CH2:13][O:14][C:27]([NH:26][CH2:24][CH3:25])=[O:28])[cH:15][cH:16]2)[n:2][cH:3][cH:4][cH:5]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8022Ethyl isocyanateHCID 8471TriethylamineHCID 21833673HCID 21833673, compound

Product 1

HCID 70150448HCID 70150448, compound

Sources & evidence

ORD record
ord-c004a5e333e64a0f8987ccfb0262bcef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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