Toluene → HCID 14154330, compound

HRID 1537365Notes

Reaction equation

HRID 1537365 reaction equation
[C:31]([O:32][CH2:33][CH3:34])(=[O:35])[CH3:36].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][S:9][c:10]2[n:11][c:12]3[c:13]([nH:14]2)[cH:15][s:16][cH:17]3)[n:6][cH:7]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:18][C:19](=[O:20])[O:21][c:22]1[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]1.[c:37]1([CH3:38])[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][S:9][c:10]2[n:11]([C:19](=[O:20])[O:21][c:22]3[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]3)[c:12]3[c:13]([n:14]2)[cH:15][s:16][cH:17]3)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8857Ethyl Acetate2×HCID 821294-Nitrophenyl chloroformateHCID 14014797HCID 14014797, compound

Product 1

HCID 14154330HCID 14154330, compound

Sources & evidence

ORD record
ord-80b0ac19b77846b0ac25db3af28df23c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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