Toluene → HCID 178432314, compound

HRID 683436Notes

Reaction equation

HRID 683436 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:1][c:2]1[c:3]([CH3:31])[c:4]2[c:5]([c:6]([N:8]([CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:7]1)[n:23][c:24]([CH3:30])[n:25]2[C:26]([CH3:27])([CH3:28])[CH3:29].[P:32]([Cl:33])([Cl:34])([Cl:35])=[O:36]>>[Cl:1][c:2]1[c:3]([CH3:31])[c:4]2[c:5]([c:6]([N:8]([CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[n:7]1)[n:23][c:24]([CH3:30])[nH:25]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 24813Phosphorus oxychlorideHCID 53752236HCID 53752236, compound

Product 1

HCID 178432314HCID 178432314, compound

Sources & evidence

ORD record
ord-9ad0c2649d9e42458bf0c7982de25972
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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