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Dichloromethane → 1-[1-[6-(3-Chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-pyridin-3-ylurea

HRID 92497
Notes
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Reaction equation

HRID 92497 reaction equation
[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH:18]([CH3:19])[NH:20][C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[n:16][n:17]3)[cH:5][cH:6][cH:7]1.[Cl:53][CH2:54][Cl:55].[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52].[N:28](=[C:29]=[O:30])[c:31]1[cH:32][n:33][cH:34][cH:35][cH:36]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][c:9]2[cH:10][cH:11][c:12]3[n:13]([n:14]2)[c:15]([CH:18]([CH3:19])[NH:20][C:21](=[O:27])[NH:28][c:31]2[cH:32][n:33][cH:34][cH:35][cH:36]2)[n:16][n:17]3)[cH:5][cH:6][cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 27604933-IsocyanatopyridineHCID 72270922tert-butyl N-[1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]carbamate

Product 1

HCID 74328033
1-[1-[6-(3-Chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-3-pyridin-3-ylurea

Sources & evidence

ORD record
ord-b1c3c35218b14d519a1e3138cf443eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes