Ammonium → HCID 59369340, compound

HRID 155614Notes

Reaction equation

HRID 155614 reaction equation
[C:50](=[O:51])([O-:52])[O-:53].[CH3:27][O:28][C:29](=[O:30])[c:31]1[cH:32][n:33]([CH3:41])[c:34]2[cH:35][c:36]([Br:40])[cH:37][cH:38][c:39]12.[CH3:58][S:59](=[O:60])[CH3:61].[CH:2]1([c:5]2[c:6]([CH2:18][O:19][CH:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25][CH2:26]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:3][CH2:4]1.[Cl-:56].[ClH:1].[Cu:62][I:63].[K+:54].[K+:55].[NH4+:57].[NH:42]1[CH2:43][CH2:44][CH2:45][CH:46]1[C:47]([OH:48])=[O:49]>>[CH:2]1([c:5]2[c:6]([CH2:18][O:19][CH:20]3[CH2:21][CH2:22][N:23]([c:36]4[cH:35][c:34]5[n:33]([CH3:41])[cH:32][c:31]([C:29]([O:28][CH3:27])=[O:30])[c:39]5[cH:38][cH:37]4)[CH2:24][CH2:25][CH2:26]3)[c:7](-[c:10]3[c:11]([Cl:17])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:8][o:9]2)[CH2:3][CH2:4]1

Participants

11

Reactant 10

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 614proline dl-formHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 57443279Methyl 6-bromo-1-methyl-1H-indole-3-carboxylateHCID 593693374-((Azepan-4-yloxy)methyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole

Product 1

HCID 59369340HCID 59369340, compound

Sources & evidence

ORD record
ord-a169c75b2acc4c2e86e6bd4840b87b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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