Toluene → HCID 20318409, compound

HRID 1144628Notes

Reaction equation

HRID 1144628 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[c:7]([CH3:17])[c:8]([CH3:16])[c:9]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:10]1.[C:28]([CH3:29])([CH3:30])([CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[c:36]1[cH:37][cH:38][c:39]([OH:42])[cH:40][cH:41]1.[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[S:19]([Cl:20])([Cl:21])=[O:22]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[c:7]([CH3:17])[c:8]([CH3:16])[c:9]([CH2:11][CH2:12][C:13](=[O:14])[O:15][c:39]2[cH:38][cH:37][c:36]([C:28]([CH3:29])([CH3:30])[CH2:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:41][cH:40]2)[cH:10]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 6228DimethylformamideHCID 88144-Tert-octylphenolHCID 24386Thionyl ChlorideHCID 20318415HCID 20318415, compound

Product 1

HCID 20318409HCID 20318409, compound

Sources & evidence

ORD record
ord-2cc7c4b637ac41089dcc9d89e84360c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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