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Water → HCID 178442278, compound

HRID 94948
Notes
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Reaction equation

HRID 94948 reaction equation
[CH3:1][CH:2]1[O:3][CH:4]([CH3:8])[CH2:5][NH:6][CH2:7]1.[CH:18]1([CH2:24][n:25]2[c:26]([C:37]([CH2:38][CH3:39])([CH3:40])[CH3:41])[n:27][c:28]3[c:29]2[cH:30][cH:31][c:32]([C:34](=[O:35])[OH:36])[cH:33]3)[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[CH:9]([N:10]([CH:11]([CH3:12])[CH3:13])[CH2:14][CH3:15])([CH3:16])[CH3:17].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[CH3:1][C:2]1([C:34]([c:32]2[cH:31][cH:30][c:29]3[n:25]([CH2:24][CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]4)[c:26]([C:37]([CH2:38][CH3:39])([CH3:40])[CH3:41])[n:27][c:28]3[cH:33]2)=[O:35])[O:3][CH:4]([CH3:8])[CH2:5][NH:6][CH2:7]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 1108622,6-DimethylmorpholineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 57636258
1-(cyclohexylmethyl)-2-(1,1-dimethylpropyl)-1H-benzimidazole-5-carboxylic acid

Product 1

HCID 178442278HCID 178442278, compound

Sources & evidence

ORD record
ord-a4ca4dc8abf341cbaeba0c73666d82cd
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