Toluene → HCID 86629686, compound

HRID 1215822Notes

Reaction equation

HRID 1215822 reaction equation
[CH3:27][C:28]([CH2:29][O:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39]1)([CH3:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2>>[Cl:1][c:2]1[c:3]([NH:37][CH2:36][c:35]2[cH:34][cH:33][c:32]([CH2:31][O:30][CH2:29][C:28]([CH3:27])([CH3:40])[CH3:41])[cH:39][cH:38]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 57656047HCID 57656047, compound

Product 1

HCID 86629686HCID 86629686, compound

Sources & evidence

ORD record
ord-b86c0afcb5d643e1af3adaaa4578e2df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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