Hydrochloric Acid → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(2-hydroxybenzyl)sulfinyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide

HRID 1131832Notes

Reaction equation

HRID 1131832 reaction equation
[C:52]([O:53][CH2:54][CH3:55])(=[O:56])[CH3:57].[C:59](=[O:60])([OH:61])[O-:62].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:51]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38](=[O:39])[CH2:40][c:41]4[c:42]([O:47][CH2:48][O:49][CH3:50])[cH:43][cH:44][cH:45][cH:46]4)[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:64][OH:65].[ClH:58].[Na+:63]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:51]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]([S:38](=[O:39])[CH2:40][c:41]4[c:42]([OH:47])[cH:43][cH:44][cH:45][cH:46]4)[cH:36][cH:37]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 69521201HCID 69521201, compound

Product 1

HCID 695226737-[4-(2-butoxyethoxy)phenyl]-N-[4-[(2-hydroxybenzyl)sulfinyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide

Sources & evidence

ORD record
ord-2a5feda23f684b148a8bd315b0f38962
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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