Toluene → HCID 57652739, compound

HRID 286242Notes

Reaction equation

HRID 286242 reaction equation
[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:19][O:20][C:21](=[O:22])[c:23]1[n:24][n:25]([CH:40]([CH3:41])[CH3:42])[c:26]2[cH:27][c:28](-[c:32]3[c:33]([CH3:39])[cH:34][c:35]([OH:38])[cH:36][cH:37]3)[cH:29][cH:30][c:31]12.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH:1]1([c:4]2[c:5]([CH2:17][OH:18])[n:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][n:8]2)[CH2:2][CH2:3]1>>[CH:1]1([c:4]2[c:5]([CH2:17][O:18][c:35]3[cH:34][c:33]([CH3:39])[c:32](-[c:28]4[cH:27][c:26]5[n:25]([CH:40]([CH3:41])[CH3:42])[n:24][c:23]([C:21]([O:20][CH3:19])=[O:22])[c:31]5[cH:30][cH:29]4)[cH:37][cH:36]3)[n:6](-[c:9]3[c:10]([Cl:16])[cH:11][cH:12][cH:13][c:14]3[Cl:15])[n:7][n:8]2)[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 13831TributylphosphineHCID 66704182HCID 66704182, compoundHCID 136342877HCID 136342877, compound

Product 1

HCID 57652739HCID 57652739, compound

Sources & evidence

ORD record
ord-4225cc2f113a449889c291e925bd6426
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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