Water → HCID 87421325, compound

HRID 1564651Notes

Reaction equation

HRID 1564651 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH:8]([NH:12][c:13]2[s:14][c:15]3[c:16]([n:17]2)[cH:18][cH:19][c:20]([OH:22])[cH:21]3)[CH2:9][CH2:10][CH2:11]1.[CH3:37][N:38]1[CH2:39][CH2:40][CH2:41][C:42]1=[O:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:29][c:30]1[n:31][cH:32][cH:33][c:34]([F:36])[cH:35]1.[Cs+:27].[Cs+:28].[OH2:44]>>[CH2:1]([CH3:2])[S:3](=[O:4])(=[O:5])[N:6]1[CH2:7][CH:8]([NH:12][c:13]2[s:14][c:15]3[c:16]([n:17]2)[cH:18][cH:19][c:20]([O:22][c:34]2[cH:33][cH:32][n:31][c:30]([Cl:29])[cH:35]2)[cH:21]3)[CH2:9][CH2:10][CH2:11]1

Participants

8

Reactant 7

HCID 962WaterHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27827922-Chloro-4-fluoropyridineHCID 87421351HCID 87421351, compound

Product 1

HCID 87421325HCID 87421325, compound

Sources & evidence

ORD record
ord-05b93f6f125d45dfba61a87b70737abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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