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Ammonium → Methoxy-methyl amide

HRID 1545773
Notes
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Reaction equation

HRID 1545773 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([NH:15][c:16]3[cH:17][c:18]([Cl:31])[c:19]([O:22][CH2:23][c:24]4[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[n:9][cH:10][n:11][c:12]2[cH:13][cH:14]1.[CH3:33][NH:34][O:35][CH3:36].[Cl-:37].[ClH:32].[NH4+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:39]>>[CH3:33][N-:34][O:35][CH3:36].[O:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]2[c:8]([NH:15][c:16]3[cH:17][c:18]([Cl:31])[c:19]([O:22][CH2:23][c:24]4[cH:25][c:26]([F:30])[cH:27][cH:28][cH:29]4)[cH:20][cH:21]3)[n:9][cH:10][n:11][c:12]2[cH:13][cH:14]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 14232N,O-DimethylhydroxylamineHCID 469281154-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-quinazoline-6-carboxylic acid methyl ester

Product 2

HCID 53630747Methoxy-methyl amideHCID 875606654-[3-Chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazoline-6-carboxylic acid

Sources & evidence

ORD record
ord-6f59cd42654a4b769309c99c9b3b44c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes