Water → HCID 178488480, compound

HRID 1550073Notes

Reaction equation

HRID 1550073 reaction equation
[CH2:1]([N:2]([S:3]([F:4])([F:5])[F:7])[CH2:6][CH3:8])[CH3:9].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:53][CH2:54][Cl:55].[F:10][c:11]1[cH:12][c:13]([CH:19]2[N:20]3[C:21](=[O:45])[C:22](=[CH:30][c:31]4[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]5[cH:38][n:39][c:40]([CH3:42])[cH:41]5)[cH:35][cH:36]4)[CH2:23][CH2:24][CH:25]3[CH2:26][CH:27]([OH:29])[CH2:28]2)[cH:14][c:15]([F:18])[c:16]1[F:17].[OH2:46]>>[F:7][CH:27]1[CH2:26][CH:25]2[N:20]([CH:19]([c:13]3[cH:12][c:11]([F:10])[c:16]([F:17])[c:15]([F:18])[cH:14]3)[CH2:28]1)[C:21](=[O:45])[C:22](=[CH:30][c:31]1[cH:32][c:33]([O:43][CH3:44])[c:34](-[n:37]3[cH:38][n:39][c:40]([CH3:42])[cH:41]3)[cH:35][cH:36]1)[CH2:23][CH2:24]2

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 123472(Diethylamino)sulfur trifluorideHCID 1426956948-hydroxy-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one

Product 1

HCID 178488480HCID 178488480, compound

Sources & evidence

ORD record
ord-6c9a9825d68646f3844c83283fba8818
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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