Hydrochloric Acid → HCID 11398178, compound

HRID 309064Notes

Reaction equation

HRID 309064 reaction equation
[C:5](=[O:6])([O-:7])[O-:8].[CH2:2]([CH3:3])[NH2:4].[CH3:47][CH2:48][OH:49].[ClH:1].[I:11][CH2:12][CH2:13][CH2:14][O:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1.[K+:10].[K+:9]>>[CH2:2]([CH3:3])[NH:4][CH2:12][CH2:13][CH2:14][O:15][c:16]1[c:17](-[c:33]2[cH:34][c:35]3[c:40]([cH:41][cH:42]2)[C:39]([CH3:43])([CH3:44])[CH2:38][CH2:37][C:36]3([CH3:45])[CH3:46])[cH:18][c:19](-[c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:26][cH:27]2)[cH:20][cH:21]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium Cation2×HCID 6341EthylamineHCID 19660Carbonate IonHCID 66856963Ethyl 4'-(3-iodopropoxy)-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

Product 1

HCID 11398178HCID 11398178, compound

Sources & evidence

ORD record
ord-97197faf609c481184c6d6feeb44b16c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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