Acetic Acid → HCID 19852318, compound

HRID 1129282Notes

Reaction equation

HRID 1129282 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:21](=[O:22])[N:23]2[N:24]=[C:25]([c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[CH:26]([CH3:28])[CH2:27]2)[cH:18][cH:19]1.[Br:36][c:37]1[cH:38][cH:39][c:40]([N:41]=[C:42]=[O:43])[cH:44][cH:45]1.[CH2:8]([CH2:9][CH2:10][CH3:11])[Li:12].[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[CH3:62][C:63](=[O:64])[OH:65].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[I:46][CH2:47][CH2:48][CH2:49][CH3:50].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:8]([CH2:9][CH2:10][CH3:11])[C:26]1([CH3:28])[C:25]([c:29]2[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]2)=[N:24][N:23]([C:21]([NH:20][c:17]2[cH:16][cH:15][c:14]([Br:13])[cH:19][cH:18]2)=[O:22])[CH2:27]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 10962Butyl iodideHCID 756094-Bromophenyl isocyanateHCID 19852359HCID 19852359, compoundHCID 178418339Butyllithium

Product 1

HCID 19852318HCID 19852318, compound

Sources & evidence

ORD record
ord-b96705d7ab9f4684b6ba1bf41a121c43
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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