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Bicarbonate Ion → [6-(3-Amino-prop-1-ynyl)-quinazolin-4-yl]-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenyl]-amine

HRID 190816
Notes
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Reaction equation

HRID 190816 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]([CH3:36])[c:25]([O:28][c:29]4[cH:30][n:31][c:32]([CH3:35])[cH:33][cH:34]4)[cH:26][cH:27]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1)([CH3:5])([CH3:6])[CH3:37].[C:48](=[O:49])([OH:50])[O-:51].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44].[Na+:52]>>[NH2:7][CH2:8][C:9]#[C:10][c:11]1[cH:12][c:13]2[c:14]([NH:21][c:22]3[cH:23][c:24]([CH3:36])[c:25]([O:28][c:29]4[cH:30][n:31][c:32]([CH3:35])[cH:33][cH:34]4)[cH:26][cH:27]3)[n:15][cH:16][n:17][c:18]2[cH:19][cH:20]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66623656(3-{4-[3-Methyl-4-(6-methyl-pyridin-3-yloxy)-phenylamino]-quinazolin-6-yl}-prop-2-ynyl)-carbamic acid tert-butyl ester

Product 1

HCID 66623351
[6-(3-Amino-prop-1-ynyl)-quinazolin-4-yl]-[3-methyl-4-(6-methyl-pyridin-3-yloxy)-phenyl]-amine

Sources & evidence

ORD record
ord-a2fa8d384c824f0d942a990c53a28f3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes