Toluene → HCID 14098476, compound

HRID 2130400Notes

Reaction equation

HRID 2130400 reaction equation
[CH3:1][C:2]#[N:3].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:4][CH2:5][CH2:6][CH:7]1[O:8][c:9]2[c:10]([cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[C:11](=[O:15])[N:12]([CH3:14])[CH2:13]1.[P:24]12(=[S:25])[S:26][P:27]3(=[S:37])[S:28][P:29](=[S:35])([S:30][P:31](=[S:34])([S:32]3)[S:33]1)[S:36]2>>[Cl:4][CH2:5][CH2:6][CH:7]1[O:8][c:9]2[c:10]([cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[C:11](=[S:25])[N:12]([CH3:14])[CH2:13]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 14817Phosphorus sulfide (P2S5)HCID 14098475HCID 14098475, compound

Product 1

HCID 14098476HCID 14098476, compound

Sources & evidence

ORD record
ord-3effac5f0b2745b69f417e17ca84169a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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