4-Chlorophenyl Isocyanate → HCID 69481888, compound

HRID 2160460Notes

Reaction equation

HRID 2160460 reaction equation
[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[Cl:18][c:19]1[n:20]([CH2:27][C:28]([CH2:29][OH:30])([CH3:31])[OH:32])[cH:21][c:22]([N+:24](=[O:25])[O-:26])[n:23]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[O:30][CH2:29][C:28]([CH2:27][n:20]2[c:19]([Cl:18])[n:23][c:22]([N+:24](=[O:25])[O-:26])[cH:21]2)([CH3:31])[OH:32])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 76934-Chlorophenyl IsocyanateHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 23081081(2R)-3-(2-Chloro-4-nitro-1H-imidazol-1-yl)-2-methyl-1,2-propanediol

Product 1

HCID 69481888HCID 69481888, compound

Sources & evidence

ORD record
ord-e101de4643a9438db07554065b9cbce7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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