Benzoic Acid → HCID 22378841, compound

HRID 139558Notes

Reaction equation

HRID 139558 reaction equation
[CH3:67][N:68]1[CH2:69][CH2:70][CH2:71][C:72]1=[O:73].[CH:10]([N:11]([CH2:12][CH3:13])[CH:14]([CH3:15])[CH3:16])([CH3:17])[CH3:18].[NH2:43][CH2:44][CH2:45][NH:46][c:47]1[c:48]([CH3:66])[c:49]([NH:59][CH2:60][CH2:61][NH:62][C:63]([CH3:64])=[O:65])[n:50][c:51](-[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[n:52]1.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[P-:19]([F:20])([F:21])([F:22])([F:23])([F:24])[F:25].[n:26]1([O:27][C:28]([N:29]([CH3:30])[CH3:31])=[N+:32]([CH3:33])[CH3:34])[c:35]2[n:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:43][CH2:44][CH2:45][NH:46][c:47]1[c:48]([CH3:66])[c:49]([NH:59][CH2:60][CH2:61][NH:62][C:63]([CH3:64])=[O:65])[n:50][c:51](-[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[n:52]1

Participants

7

Reactant 6

HCID 243Benzoic AcidHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 22353380HCID 22353380, compound

Product 1

HCID 22378841HCID 22378841, compound

Sources & evidence

ORD record
ord-0bd833602a5e498e8444e50a85cf2cd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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