Water → HCID 57559128, compound

HRID 319918Notes

Reaction equation

HRID 319918 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][N:8]([C:21]([c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)=[O:29])[CH2:9][CH:10]([OH:20])[c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21.[CH2:45]([CH3:46])[SH:47].[Cl:49][CH2:50][Cl:51].[F:30][C:31]([S:32]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])(=[O:41])=[O:42])([F:43])[F:44].[OH2:48]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[CH:7][N:8]([C:21]([c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)=[O:29])[CH2:9][CH:10]([S:47][CH2:45][CH3:46])[c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21

Participants

6

Reactant 5

HCID 962WaterHCID 6343EthanethiolHCID 6344DichloromethaneHCID 67749Trifluoromethanesulfonic anhydrideHCID 57559135HCID 57559135, compound

Product 1

HCID 57559128HCID 57559128, compound

Sources & evidence

ORD record
ord-3213cd996cd345c98b88e9ff2b2bfcbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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