Dimethylformamide → 3-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-4-methoxyphenyl]benzamide

HRID 193826Notes

Reaction equation

HRID 193826 reaction equation
[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]2)[CH2:4][CH2:5]1.[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:51][N:52]1[CH2:53][CH2:54][CH2:55][C:56]1=[O:57].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:26][c:27]1[cH:28][cH:29][c:30]([O:49][CH3:50])[c:31]([O:32][c:33]2[cH:34][cH:35][c:36]3[n:37]([n:38]2)[cH:39][c:40]([NH:42][C:43](=[O:44])[CH:45]2[CH2:46][CH2:47]2)[n:41]3)[cH:48]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1>>[C:1](#[N:2])[C:3]1([c:6]2[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]3[cH:28][cH:29][c:30]([O:49][CH3:50])[c:31]([O:32][c:33]4[cH:34][cH:35][c:36]5[n:37]([n:38]4)[cH:39][c:40]([NH:42][C:43](=[O:44])[CH:45]4[CH2:46][CH2:47]4)[n:41]5)[cH:48]3)[cH:12][cH:13][cH:14]2)[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 13387N-methyl-2-pyrrolidoneHCID 65578Oxalyl chlorideHCID 574410393-(1-Cyanocyclopropyl)benzoic acidHCID 57505485N-[6-(5-amino-2-methoxyphenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

Product 1

HCID 575057093-(1-cyanocyclopropyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-4-methoxyphenyl]benzamide

Sources & evidence

ORD record
ord-0ae9e5a2311f4fc6b366aeafe4bbb09f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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