Toluene → HCID 86739669, compound

HRID 283771Notes

Reaction equation

HRID 283771 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([OH:18])[c:8]2[cH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[cH:16][c:17]12.[P:26]([O:27][c:28]1[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]1)([S:38][CH2:39][CH2:40][CH2:41][CH3:42])([Cl:43])=[O:44]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:18][P:26]([O:27][c:28]2[cH:29][cH:30][c:31]([C:34]([F:35])([F:36])[F:37])[cH:32][cH:33]2)([S:38][CH2:39][CH2:40][CH2:41][CH3:42])=[O:44])[c:8]2[cH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[cH:16][c:17]12

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 20443609HCID 20443609, compoundHCID 86109706HCID 86109706, compound

Product 1

HCID 86739669HCID 86739669, compound

Sources & evidence

ORD record
ord-6e34792d6c074017b361d3172a1df606
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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