Hydrochloric Acid → HCID 178467052, compound

HRID 1141473Notes

Reaction equation

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

Participants

Reactant 3

HCID 313Hydrochloric Acid2×

HCID 498534781-(3-(Methylsulfonyl)propyl)piperazine

HCID 72455731rac-(4S*,5R*)-2-(4-tert-butylsulfamoyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride

Product 1

HCID 178467052HCID 178467052, compound

Sources & evidence

ORD record: ord-4631a6b1bb404dc8a05eb1a350c11cd6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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