Water → HCID 66584034, compound

HRID 213629Notes

Reaction equation

HRID 213629 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][S:2]([O:3][CH2:6][CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)(=[O:4])=[O:5].[CH3:49][C:50]#[N:51].[Cs+:47].[Cs+:48].[OH2:52].[nH:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12>>[CH2:6]([CH:7]1[N:8]([c:21]2[cH:22][cH:23][c:24]([C:27]([C:28]([F:29])([F:30])[F:31])([CH3:32])[OH:33])[cH:25][cH:26]2)[CH2:9][CH2:10][N:11]([S:13](=[O:14])(=[O:15])[c:16]2[s:17][cH:18][cH:19][cH:20]2)[CH2:12]1)[n:34]1[cH:35][cH:36][c:37]2[cH:38][cH:39][cH:40][n:41][c:42]12

Participants

7

Reactant 6

HCID 962WaterHCID 6342AcetonitrileHCID 92221H-Pyrrolo(2,3-b)pyridineHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 86670324(4-(2-Thiophenylsulfonyl)-1-(4-(2,2,2-trifluoro-1-hydroxy-1-methylethyl)phenyl)-2-piperazinyl)methyl methanesulfonate

Product 1

HCID 66584034HCID 66584034, compound

Sources & evidence

ORD record
ord-a351310547bd4b69a1173013c7073b22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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