Dichloromethane → 3-Cyano-4-(3-hydroxymethyl-4-phenoxy-phenylamino)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester

HRID 674599Notes

Reaction equation

HRID 674599 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:39])[c:8]2[n:9]([n:10][cH:11][c:12]([C:36]#[N:37])[c:13]2[NH:14][c:15]2[cH:16][c:17]([CH2:28][O:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][O:35]3)[c:18]([O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:19][cH:20]2)[cH:38]1.[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([CH3:39])[c:8]2[n:9]([n:10][cH:11][c:12]([C:36]#[N:37])[c:13]2[NH:14][c:15]2[cH:16][c:17]([CH2:28][OH:29])[c:18]([O:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:19][cH:20]2)[cH:38]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69327665HCID 69327665, compound

Product 1

HCID 696493093-Cyano-4-(3-hydroxymethyl-4-phenoxy-phenylamino)-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-12a9618233644935ba49d0f4b6652307
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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