Toluene → HCID 14155954, compound

HRID 168585Notes

Reaction equation

HRID 168585 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][C:39]#[N:40].[Cl:1][CH2:2][CH2:3][CH:4]1[CH2:5][c:6]2[c:7]([cH:13][cH:14][cH:15][n:16]2)[C:8](=[O:12])[N:9]([CH3:11])[CH2:10]1.[P:17]12(=[S:18])[S:19][P:20]3(=[S:30])[S:21][P:22](=[S:28])([S:23][P:24](=[S:27])([S:25]3)[S:26]1)[S:29]2>>[Cl:1][CH2:2][CH2:3][CH:4]1[CH2:5][c:6]2[c:7]([cH:13][cH:14][cH:15][n:16]2)[C:8](=[S:18])[N:9]([CH3:11])[CH2:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 14817Phosphorus sulfide (P2S5)HCID 14155950HCID 14155950, compound

Product 1

HCID 14155954HCID 14155954, compound

Sources & evidence

ORD record
ord-6b99316a48dc4af1b3721216a0ba45a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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