Hydrochloric Acid → HCID 16059439, compound

HRID 1139846Notes

Reaction equation

HRID 1139846 reaction equation
[CH3:65][N:66]1[CH2:67][CH2:68][CH2:69][C:70]1=[O:71].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:17][c:18]1[cH:19][c:20]2[c:21]([n:22]([CH2:26][C:27](=[O:28])[OH:29])[c:23](=[O:25])[o:24]2)[cH:30][cH:31]1.[ClH:1].[ClH:2].[F:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[cH:15][cH:16]1.[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[F:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:27]([CH2:26][n:22]3[c:21]4[c:20]([cH:19][c:18]([Cl:17])[cH:31][cH:30]4)[o:24][c:23]3=[O:25])=[O:28])[CH2:13][CH2:14]2)[cH:15][cH:16]1

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 81531DiisopropylethylamineHCID 7763663(2H)-benzoxazoleacetic acid, 6-chloro-2-oxo-HCID 7965631-(4-Fluorobenzyl)piperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 16059439HCID 16059439, compound

Sources & evidence

ORD record
ord-fbdd156b52384abaae8224c8c85560de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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