Hydrochloric Acid → HCID 178466447, compound

HRID 2153475Notes

Reaction equation

HRID 2153475 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[OH:44])[CH2:39][CH2:40]2)[cH:10][n:11]1.[CH3:79][CH2:80][N:81]([CH2:82][CH3:83])[CH2:84][CH3:85].[Cl:86][CH2:87][Cl:88].[ClH:1].[F:48][P-:49]([F:50])([F:51])([F:52])([F:53])[F:54].[NH:72]1[C:73](=[O:78])[CH2:74][NH:75][CH2:76][CH2:77]1.[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([O:45][CH2:46][CH3:47])[c:9]([C:12]2=[N:16][C:15]([CH3:17])([c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[C:14]([CH3:25])([c:26]3[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]3)[N:13]2[C:33](=[O:34])[N:35]2[CH2:36][CH2:37][N:38]([CH2:41][C:42](=[O:43])[N:75]3[CH2:74][C:73](=[O:78])[NH:72][CH2:77][CH2:76]3)[CH2:39][CH2:40]2)[cH:10][n:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 231360Piperazin-2-oneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178466472HCID 178466472, compound

Product 1

HCID 178466447HCID 178466447, compound

Sources & evidence

ORD record
ord-ba7e9a8a2fd8417a974686af0c4cd7a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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