Hydrochloric Acid → 4-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-b]pyridazin-3-ylamide

HRID 89327Notes

Reaction equation

HRID 89327 reaction equation
[CH3:51][S:52]([CH3:53])=[O:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[Cl:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([CH2:11][N:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[cH:18][cH:19][cH:20]2)[cH:21][cH:22]1.[ClH:1].[c:32]1([O:38][C:39](=[O:33])[NH:40][c:41]2[cH:42][n:43][c:44]3[n:45]2[n:46][cH:47][cH:48][cH:49]3)[cH:34][cH:35][cH:36][cH:37][cH:50]1>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][c:10]([CH2:11][N:12]3[CH2:13][CH2:14][N:15]([C:39](=[O:38])[NH:40][c:41]4[cH:42][n:43][c:44]5[n:45]4[n:46][cH:47][cH:48][cH:49]5)[CH2:16][CH2:17]3)[cH:18][cH:19][cH:20]2)[cH:21][cH:22]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 58442681Imidazo[1,2-b]pyridazin-3-yl-carbamic acid phenyl esterHCID 674138101-[[3-(4-Chlorophenoxy)phenyl]methyl]piperazine

Product 1

HCID 462139484-[3-(4-Chloro-phenoxy)-benzyl]-piperazine-1-carboxylic acid imidazo[1,2-b]pyridazin-3-ylamide

Sources & evidence

ORD record
ord-d3cb7d2f1c7d40ff9ebe4703122f0040
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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