Hydrochloric Acid → 2-[3-Cyano-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazin-6-ylamino]-4,5-dihydro-imidazole-1-carboxylic acid tert-butyl ester

HRID 149018Notes

Reaction equation

HRID 149018 reaction equation
[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[N:36]1[C:37]([S:41][CH3:42])=[N:38][CH2:39][CH2:40]1.[CH3:43][OH:44].[Cl:45][CH:46]([Cl:47])[Cl:48].[ClH:1].[NH2:2][c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1>>[NH:2]([c:3]1[c:4]([CH3:28])[c:5]2[n:6]([n:7][cH:8][c:9]([C:25]#[N:26])[c:10]2[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:27]1)[C:37]1=[N:38][CH2:39][CH2:40][N:36]1[C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6212ChloroformHCID 15456372tert-butyl 2-(methylsulfanyl)-4,5-dihydro-1H-imidazole-1-carboxylateHCID 221794886-Amino-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-3-carbonitrile

Product 1

HCID 210251732-[3-Cyano-5-methyl-4-(4-phenoxy-phenylamino)-pyrrolo[1,2-b]pyridazin-6-ylamino]-4,5-dihydro-imidazole-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-a124d098f44c4350a1c57b1a30988955
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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