Chloride → HCID 67406054, compound

HRID 161408Notes

Reaction equation

HRID 161408 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([C:21](=[O:22])[OH:23])[cH:14][n:15]([CH:18]([CH3:19])[CH3:20])[c:16]2[cH:17]1.[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[Cl-:28].[F:29][C:30]([c:31]1[cH:32][c:33]([NH2:34])[cH:35][cH:36][cH:37]1)([F:38])[F:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:53].[S:24]([Cl:25])([Cl:26])=[O:27]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([C:21](=[O:22])[NH:34][c:33]3[cH:32][c:31]([C:30]([F:29])([F:38])[F:39])[cH:37][cH:36][cH:35]3)[cH:14][n:15]([CH:18]([CH3:19])[CH3:20])[c:16]2[cH:17]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 962WaterHCID 73753-(Trifluoromethyl)anilineHCID 13387N-methyl-2-pyrrolidoneHCID 24386Thionyl ChlorideHCID 312751,4-DioxaneHCID 57455172HCID 57455172, compound

Product 1

HCID 67406054HCID 67406054, compound

Sources & evidence

ORD record
ord-1b586d820c77481fa509ee1cdbf7be7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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