Toluene → HCID 68698119, compound

HRID 2343121Notes

Reaction equation

HRID 2343121 reaction equation
[CH2:28]([NH:29][CH2:30][CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:23][CH2:24][CH3:25])[c:10](-[c:13]3[n:14][o:15][c:16]4[c:17]3[cH:18][c:19]([OH:22])[cH:20][cH:21]4)[cH:11][cH:12]2)[cH:26][cH:27]1.[S:37]([Cl:38])(=[O:39])([Cl:40])=[O:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH2:23][CH2:24][CH3:25])[c:10](-[c:13]3[n:14][o:15][c:16]4[c:17]3[c:18]([Cl:40])[c:19]([OH:22])[cH:20][cH:21]4)[cH:11][cH:12]2)[cH:26][cH:27]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8085DiisobutylamineHCID 24648Sulfuryl chlorideHCID 68691874HCID 68691874, compound

Product 1

HCID 68698119HCID 68698119, compound

Sources & evidence

ORD record
ord-5dadab84ba57476399946b11de7597a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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