Water → HCID 67435545, compound

HRID 2146457Notes

Reaction equation

HRID 2146457 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[N:24]1[CH:25]([CH2:29][O:30][S:31]([CH3:32])(=[O:33])=[O:34])[CH2:26][CH2:27][CH2:28]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[C:48]1=[O:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[cH:7][nH:8][c:9]2[cH:10]1.[Cs+:39].[Cs+:40].[OH2:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[cH:7][n:8]([CH2:29][CH:25]3[N:24]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:28][CH2:27][CH2:26]3)[c:9]2[cH:10]1

Participants

7

Reactant 6

HCID 962WaterHCID 19660Carbonate IonHCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-HCID 104967Cesium cation2×HCID 18007568Tert-butyl 2-[(methanesulfonyloxy)methyl]pyrrolidine-1-carboxylateHCID 224972521-(6-Chloro-3-indolyl)-2,2,2-trifluoroethanone

Product 1

HCID 67435545HCID 67435545, compound

Sources & evidence

ORD record
ord-8bdaa628e2234a90a1a43cdd01ac0b19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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