Hydrochloric Acid → HCID 74963347, compound

HRID 1205592Notes

Reaction equation

HRID 1205592 reaction equation
[C:20]([CH3:21])([CH3:22])([CH3:23])[c:24]1[cH:25][c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]2[cH:34][c:35]([O:39][c:40]3[n:41][cH:42][n:43][c:44]4[cH:45][c:46]([O:56][CH3:57])[c:47]([O:50][CH:51]5[CH2:52][NH:53][CH2:54][CH2:55]5)[cH:48][c:49]34)[cH:36][cH:37][cH:38]2)[n:27][o:28]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:18].[ClH:19].[F:6][C:7]([F:8])([F:9])[S:10]([O:11][CH2:12][CH:13]([F:14])[F:15])(=[O:16])=[O:17].[Na+:5].[O-:1][C:2]([OH:3])=[O:4]>>[CH2:12]([CH:13]([F:14])[F:15])[N:53]1[CH2:52][CH:51]([O:50][c:47]2[c:46]([O:56][CH3:57])[cH:45][c:44]3[n:43][cH:42][n:41][c:40]([O:39][c:35]4[cH:34][c:33]([NH:32][C:30]([NH:29][c:26]5[cH:25][c:24]([C:20]([CH3:21])([CH3:22])[CH3:23])[o:28][n:27]5)=[O:31])[cH:38][cH:37][cH:36]4)[c:49]3[cH:48]2)[CH2:55][CH2:54]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 27740892,2-Difluoroethyl trifluoromethanesulfonateHCID 66877196HCID 66877196, compound

Product 1

HCID 74963347HCID 74963347, compound

Sources & evidence

ORD record
ord-6908492b02db428ebeb9154fa28797e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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