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Bicarbonate Ion → (4,5-Dichloro-2-fluoro-phenyl)-{7-[2-(2-fluoro-ethoxy)-ethoxy]-6-nitro-quinazolin-4-yl}-amine

HRID 145819
Notes
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Reaction equation

HRID 145819 reaction equation
[C:40](=[O:41])([OH:42])[O-:43].[CH2:1]([N:2]([S:3]([F:4])([F:5])[F:7])[CH2:6][CH3:8])[CH3:9].[Cl:10][c:11]1[cH:12][c:13]([F:39])[c:14]([NH:18][c:19]2[n:20][cH:21][n:22][c:23]3[cH:24][c:25]([O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][OH:38])[c:26]([N+:29](=[O:30])[O-:31])[cH:27][c:28]23)[cH:15][c:16]1[Cl:17].[Cl:45][CH2:46][Cl:47].[Na+:44].[OH2:48]>>[F:7][CH2:37][CH2:36][O:35][CH2:34][CH2:33][O:32][c:25]1[cH:24][c:23]2[n:22][cH:21][n:20][c:19]([NH:18][c:14]3[c:13]([F:39])[cH:12][c:11]([Cl:10])[c:16]([Cl:17])[cH:15]3)[c:28]2[cH:27][c:26]1[N+:29](=[O:30])[O-:31]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 962WaterHCID 6344DichloromethaneHCID 123472(Diethylamino)sulfur trifluorideHCID 692669552-{2-[4-(4,5-Dichloro-2-fluoro-phenylamino)-6-nitro-quinazoline-7-yloxy]-ethoxy}-ethanol

Product 1

HCID 86618844
(4,5-Dichloro-2-fluoro-phenyl)-{7-[2-(2-fluoro-ethoxy)-ethoxy]-6-nitro-quinazolin-4-yl}-amine

Sources & evidence

ORD record
ord-2e3a66de0a7044bcbe5699d607195500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes