1,2-Dichloroethane → 1-Cyclopropyl-3-(3-fluoro-4-(2-(5-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)urea

HRID 683788Notes

Reaction equation

HRID 683788 reaction equation
[CH2:44]([Cl:45])[CH2:46][Cl:47].[CH3:48][N:49]1[CH2:50][CH2:51][N:52]([CH:55]2[CH2:56][CH2:57][NH:58][CH2:59][CH2:60]2)[CH2:53][CH2:54]1.[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][c:9]([F:32])[c:10]([O:11][c:12]3[c:13]4[c:14]([n:15][cH:16][cH:17]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]3)[s:20]4)[cH:30][cH:31]2)=[O:33])[CH2:2][CH2:3]1.[Na+:70].[O-:66][C:67]([OH:68])=[O:69].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH:1]1([NH:4][C:5]([NH:6][c:7]2[cH:8][c:9]([F:32])[c:10]([O:11][c:12]3[c:13]4[c:14]([n:15][cH:16][cH:17]3)[cH:18][c:19](-[c:21]3[n:22][cH:23][c:24]([C:25](=[O:27])[N:58]5[CH2:57][CH2:56][CH:55]([N:52]6[CH2:51][CH2:50][N:49]([CH3:48])[CH2:54][CH2:53]6)[CH2:60][CH2:59]5)[cH:28][cH:29]3)[s:20]4)[cH:30][cH:31]2)=[O:33])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 7957071-Methyl-4-(piperidin-4-yl)piperazineHCID 674418286-(7-(4-(3-Cyclopropylureido)-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl)nicotinic acid

Product 1

HCID 534763961-Cyclopropyl-3-(3-fluoro-4-(2-(5-(4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl)pyridin-2-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-e6407cae3fd84bfabddbd051ef74a748
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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