Hydrochloric Acid → HCID 178457676, compound

HRID 2158249Notes

Reaction equation

HRID 2158249 reaction equation
[CH3:82][OH:83].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:40].[NH2:41][CH:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])[CH2:48][CH3:49].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][P+:59]([N:60]([CH3:61])[CH3:62])([N:63]([CH3:64])[CH3:65])[N:66]([CH3:67])[CH3:68])[c:69]2[cH:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]1.[s:10]1[cH:11][n:12][c:13]2[c:14]1[cH:15][c:16]([C:19]1([c:22]3[n:23][n:24][c:25]4[n:26]3[n:27][c:28](-[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]3)[cH:29][n:30]4)[CH2:20][CH2:21]1)[cH:17][cH:18]2>>[s:10]1[cH:11][n:12][c:13]2[c:14]1[cH:15][c:16]([C:19]1([c:22]3[n:23][n:24][c:25]4[n:26]3[n:27][c:28](-[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:37])[NH:41][CH:42]([C:43](=[O:44])[N:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])[cH:38][cH:39]3)[cH:29][n:30]4)[CH2:20][CH2:21]1)[cH:17][cH:18]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 43649466HCID 43649466, compoundHCID 668130544-{3-[1-(1,3-Benzothiazol-6-yl)cyclopropyl][1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl}benzoic acid

Product 1

HCID 178457676HCID 178457676, compound

Sources & evidence

ORD record
ord-a0d9d2f453c84b69a5851a4f9ebc123b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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