Toluene → HCID 13726304, compound

HRID 98364Notes

Reaction equation

HRID 98364 reaction equation
[CH3:34][C:35]#[N:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][CH2:2][CH2:3][CH:4]1[O:5][c:6]2[c:7]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[C:8](=[O:12])[N:9]([CH3:11])[CH2:10]1.[P:20]12(=[S:21])[S:22][P:23]3(=[S:33])[S:24][P:25](=[S:31])([S:26][P:27](=[S:30])([S:28]3)[S:29]1)[S:32]2>>[Cl:1][CH2:2][CH2:3][CH:4]1[O:5][c:6]2[c:7]([cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[C:8](=[S:21])[N:9]([CH3:11])[CH2:10]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6342AcetonitrileHCID 14817Phosphorus sulfide (P2S5)HCID 137263032-(2-chloroethyl)-2,3-dihydro-4-methyl-7-nitro-1,4-benzoxazepin-5(4H)-one

Product 1

HCID 13726304HCID 13726304, compound

Sources & evidence

ORD record
ord-c8fea3c6f3934bb589e7ee0d50b061af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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