Toluene → HCID 178482166, compound

HRID 1200441Notes

Reaction equation

HRID 1200441 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][O:36][S:37]([O:38][CH3:39])(=[O:40])=[O:41].[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]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[CH:20]([C:21](=[O:22])[NH2:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([NH:19][CH3:28])[cH:17][cH:18]2)[CH:20]([C:21](=[O:22])[NH2:23])[CH2:24][CH:25]([CH3:26])[CH3:27])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 6497Dimethyl SulfateHCID 8471TriethylamineHCID 178444914HCID 178444914, compound

Product 1

HCID 178482166HCID 178482166, compound

Sources & evidence

ORD record
ord-1959882d5dff481abd3002ed5ed204c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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