Toluene → HCID 57310052, compound

HRID 1545285Notes

Reaction equation

HRID 1545285 reaction equation
[CH3:1][S:2](=[O:3])[c:4]1[cH:5][c:6]([OH:20])[c:7]2[cH:8][c:9]3[cH:10][c:11]([C:18]#[N:19])[cH:12][cH:13][c:14]3[cH:15][c:16]2[cH:17]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1.[P:33]([O:34][c:35]1[c:36]([CH3:43])[cH:37][c:38]([Cl:42])[cH:39][c:40]1[Cl:41])([S:44][CH2:45][CH2:46][CH3:47])([Cl:48])=[O:49]>>[CH3:1][S:2](=[O:3])[c:4]1[cH:5][c:6]([O:20][P:33]([O:34][c:35]2[c:36]([CH3:43])[cH:37][c:38]([Cl:42])[cH:39][c:40]2[Cl:41])([S:44][CH2:45][CH2:46][CH3:47])=[O:49])[c:7]2[cH:8][c:9]3[cH:10][c:11]([C:18]#[N:19])[cH:12][cH:13][c:14]3[cH:15][c:16]2[cH:17]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 20443595HCID 20443595, compoundHCID 56982482HCID 56982482, compound

Product 1

HCID 57310052HCID 57310052, compound

Sources & evidence

ORD record
ord-ada2dc49d8b841649e40aea5130094fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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