Hydrochloric Acid → HCID 178488750, compound

HRID 179746Notes

Reaction equation

HRID 179746 reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]1[CH2:24][CH:25]([CH2:45][c:46]2[cH:47][c:48]([O:53][CH3:54])[c:49]([OH:52])[cH:50][cH:51]2)[N:26]([C:29]([c:30]2[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)=[O:44])[CH2:27][CH2:28]1.[CH3:64][N:65]([CH3:66])[c:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1.[Cl:73][CH2:74][Cl:75].[ClH:63].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15].[OH2:76].[n:55]1[c:56]([CH3:57])[cH:58][cH:59][cH:60][c:61]1[CH3:62]>>[O:6]([S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])[c:49]1[c:48]([O:53][CH3:54])[cH:47][c:46]([CH2:45][CH:25]2[CH2:24][N:23]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:28][CH2:27][N:26]2[C:29]([c:30]2[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)=[O:44])[cH:51][cH:50]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 79372,6-LutidineHCID 142844-(Dimethylamino)pyridineHCID 67749Trifluoromethanesulfonic anhydrideHCID 178488749HCID 178488749, compound

Product 1

HCID 178488750HCID 178488750, compound

Sources & evidence

ORD record
ord-4dbbcc0e266d4bf7a3d7f154ab956988
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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