Toluene → HCID 86629612, compound

HRID 205330Notes

Reaction equation

HRID 205330 reaction equation
[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.[F:27][C:28]([CH:29]([O:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][NH2:36])[cH:37][cH:38]1)[CH3:39])([F:40])[F:41]>>[Cl:1][c:2]1[c:3]([NH:36][CH2:35][c:34]2[cH:33][cH:32][c:31]([O:30][CH:29]([C:28]([F:27])([F:40])[F:41])[CH3:39])[cH:38][cH:37]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 57656088HCID 57656088, compound

Product 1

HCID 86629612HCID 86629612, compound

Sources & evidence

ORD record
ord-7b136774b1b74153a7dba4e510f9cfcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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