Hydrochloric Acid → HCID 178464919, compound

HRID 1119636Notes

Reaction equation

HRID 1119636 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:33])[C:9](=[O:32])[N:10]([c:24]3[cH:25][c:26]([Cl:31])[cH:27][c:28]([Cl:30])[cH:29]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH3:23])[cH:14][n:15]3)[cH:34][cH:35]1.[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[ClH:36].[NH2:37][CH:38]([C:39](=[S:40])[NH2:41])[CH3:42].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[P-:62]([F:63])([F:64])([F:65])([F:66])([F:67])[F:68].[n:69]1([O:70][C:71]([N:72]([CH3:73])[CH3:74])=[N+:75]([CH3:76])[CH3:77])[c:78]2[n:79][cH:80][cH:81][cH:82][c:83]2[n:84][n:85]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([CH2:7][C:8]2([CH3:33])[C:9](=[O:32])[N:10]([c:24]3[cH:25][c:26]([Cl:31])[cH:27][c:28]([Cl:30])[cH:29]3)[c:11]3[n:12]2[c:13]([C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:22])[NH:37][CH:38]([C:39](=[S:40])[NH2:41])[CH3:42])[CH3:23])[cH:14][n:15]3)[cH:34][cH:35]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 181649HOAtHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 13760557HCID 13760557, compoundHCID 67390401HCID 67390401, compound

Product 1

HCID 178464919HCID 178464919, compound

Sources & evidence

ORD record
ord-bf533ddb99c944fb86a5b4bf5ee3388d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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