Hydrochloric Acid → [(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 4-(3-dimethylamino-propoxy)-2,6-diisopropyl-phenyl ester

HRID 2129755Notes

Reaction equation

HRID 2129755 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:47][N:48]([CH2:49][CH2:50][CH2:51][Cl:52])[CH3:53].[CH3:54][N:55]([CH3:56])[CH:57]=[O:58].[CH3:64][CH2:65][O:66][CH2:67][CH3:68].[ClH:46].[H-:1].[Na+:2].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:3][c:4]1[cH:5][c:6]([CH:36]([CH3:37])[CH3:38])[c:7]([O:13][S:14]([NH:15][C:16]([CH2:17][c:18]2[c:19]([CH:30]([CH3:31])[CH3:32])[cH:20][c:21]([CH:27]([CH3:28])[CH3:29])[cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])=[O:33])(=[O:34])=[O:35])[c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1>>[O:3]([c:4]1[cH:5][c:6]([CH:36]([CH3:37])[CH3:38])[c:7]([O:13][S:14]([NH:15][C:16]([CH2:17][c:18]2[c:19]([CH:30]([CH3:31])[CH3:32])[cH:20][c:21]([CH:27]([CH3:28])[CH3:29])[cH:22][c:23]2[CH:24]([CH3:25])[CH3:26])=[O:33])(=[O:34])=[O:35])[c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1)[CH2:51][CH2:50][CH2:49][N:48]([CH3:47])[CH3:53]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 669603-Chloro-N,N-dimethyl-1-propanamineHCID 166653HydrideHCID 10142635[(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 4-hydroxy-2,6-diisopropyl-phenyl ester

Product 1

HCID 10168301[(2,4,6-Triisopropyl-phenyl)-acetyl]-sulfamic acid 4-(3-dimethylamino-propoxy)-2,6-diisopropyl-phenyl ester

Sources & evidence

ORD record
ord-c02611f2520343d6bee2764157cbd69e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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