Toluene → HCID 87119135, compound

HRID 210697Notes

Reaction equation

HRID 210697 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]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]1[cH:29][cH:30][c:31]([CH:34]([CH3:35])[NH2:36])[cH:32][cH:33]1>>[Cl:1][c:2]1[c:3]([NH:36][CH:34]([c:31]2[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]2)[CH3:35])[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 1230631-(4-Fluorophenyl)ethylamineHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 87119135HCID 87119135, compound

Sources & evidence

ORD record
ord-c656456d5d084cc09e453b08013b0372
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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