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Hydrochloric Acid → 4-(4-(4-(But-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

HRID 88993
Notes
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Reaction equation

HRID 88993 reaction equation
[CH2:1]([CH2:2][CH:3]=[CH2:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][c:12]2[n:13][c:14]([NH:24][c:25]3[cH:26][cH:27][c:28]([C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]3)[n:15][c:16]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:17]2)[cH:35][cH:36]1.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:46][CH2:47][Cl:48].[ClH:40].[Li+:38].[OH-:37].[OH2:39]>>[CH2:1]([CH2:2][CH:3]=[CH2:4])[O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][NH:11][c:12]2[n:13][c:14]([NH:24][c:25]3[cH:26][cH:27][c:28]([C:29](=[O:30])[OH:31])[cH:33][cH:34]3)[n:15][c:16]([O:18][CH2:19][C:20]([F:21])([F:22])[F:23])[n:17]2)[cH:35][cH:36]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67073984Methyl 4-(4-(4-(but-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

Product 1

HCID 670742904-(4-(4-(But-3-enyloxy)benzylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoic acid

Sources & evidence

ORD record
ord-e56c72ffb19f4618a25b85ce4701ec54
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