Toluene → HCID 178452676, compound

HRID 124722Notes

Reaction equation

HRID 124722 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([P:7]2(=[S:10])[S:8][P:9]([c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18]3)(=[S:19])[S:20]2)[cH:21][cH:22]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[F:23][c:24]1[c:25]([CH:31]2[CH2:32][CH2:33][CH:34]([NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[C:35](=[O:38])[NH:36][CH2:37]2)[cH:26][cH:27][cH:28][c:29]1[F:30]>>[S:10]=[C:35]1[CH:34]([NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH2:33][CH2:32][CH:31]([c:25]2[c:24]([F:23])[c:29]([F:30])[cH:28][cH:27][cH:26]2)[CH2:37][NH:36]1

Participants

4

Reactant 3

HCID 1140TolueneHCID 87949Lawesson's reagentHCID 74081309tert-butyl N-[6-(2,3-difluorophenyl)-2-oxoazepan-3-yl]carbamate

Product 1

HCID 178452676HCID 178452676, compound

Sources & evidence

ORD record
ord-cdef1be93de543cdb0022dd919c5d76c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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