Toluene → HCID 54540274, compound

HRID 281250Notes

Reaction equation

HRID 281250 reaction equation
[CH2:14]([CH3:15])[O:16][P:17]([O:18][CH2:19][CH3:20])(=[O:21])[C:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])=[N:28][OH:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8](=[O:9])[Cl:10])[CH3:11])[cH:12][cH:13]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8](=[O:9])[O:29][N:28]=[C:22]([P:17]([O:16][CH2:14][CH3:15])([O:18][CH2:19][CH3:20])=[O:21])[CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH3:11])[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 10911038HCID 10911038, compoundHCID 86741358HCID 86741358, compound

Product 1

HCID 54540274HCID 54540274, compound

Sources & evidence

ORD record
ord-9261a30c16f744b7814eb277cfd92a6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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