Hydrochloric Acid → HCID 178421984, compound

HRID 2310219Notes

Reaction equation

HRID 2310219 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:36])[C:9](=[O:35])[N:10]([c:27]3[cH:28][c:29]([Cl:34])[cH:30][c:31]([Cl:33])[cH:32]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH2:23][C:24](=[O:25])[NH2:26])[cH:14][n:15]3)[cH:37][cH:38]1.[CH:80]([N:81]([CH:82]([CH3:83])[CH3:84])[CH2:85][CH3:86])([CH3:87])[CH3:88].[ClH:39].[F:40][C:41]1([F:45])[CH2:42][NH:43][CH2:44]1.[OH:46][n:47]1[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1.[P-:56]([F:57])([F:58])([F:59])([F:60])([F:61])[F:62].[n:63]1([O:64][C:65]([N:66]([CH3:67])[CH3:68])=[N+:69]([CH3:70])[CH3:71])[c:72]2[n:73][cH:74][cH:75][cH:76][c:77]2[n:78][n:79]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:36])[C:9](=[O:35])[N:10]([c:27]3[cH:28][c:29]([Cl:34])[cH:30][c:31]([Cl:33])[cH:32]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:22])[N:43]2[CH2:42][C:41]([F:40])([F:45])[CH2:44]2)[CH2:23][C:24](=[O:25])[NH2:26])[cH:14][n:15]3)[cH:37][cH:38]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 27582483,3-DifluoroazetidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673905854-Amino-2-[[5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]-4-oxobutanoic acid

Product 1

HCID 178421984HCID 178421984, compound

Sources & evidence

ORD record
ord-9777ba61c5c948109cf9504e3091b5b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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