Hydrochloric Acid → HCID 58558036, compound

HRID 1219789Notes

Reaction equation

HRID 1219789 reaction equation
[CH2:48]1[CH2:49][CH2:50]1.[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[CH:36]1([S:39](=[O:40])(=[O:41])[Cl:42])[CH2:37][CH2:38]1.[Cl:56][CH2:57][Cl:58].[ClH:26].[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[S:43]([Cl:44])([Cl:45])(=[O:46])=[O:47].[c:1]1([N:13]2[CH2:14][CH:15]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:16][CH2:17]2)[n:2][cH:3][c:4]2[n:5]1[c:6]1[c:7]([n:8][cH:9]2)[nH:10][cH:11][cH:12]1>>[c:1]1([N:13]2[CH2:14][CH:15]([NH:18][S:39]([CH:36]3[CH2:37][CH2:38]3)(=[O:40])=[O:41])[CH2:16][CH2:17]2)[n:2][cH:3][c:4]2[n:5]1[c:6]1[c:7]([n:8][cH:9]2)[nH:10][cH:11][cH:12]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6351CyclopropaneHCID 24648Sulfuryl chlorideHCID 81531DiisopropylethylamineHCID 2760919Cyclopropanesulfonyl chlorideHCID 67998679HCID 67998679, compound

Product 1

HCID 58558036HCID 58558036, compound

Sources & evidence

ORD record
ord-cea2fb1ada17460bbe9b600b52e9dd46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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