Hydrochloric Acid → HCID 178435297, compound

HRID 200736Notes

Reaction equation

HRID 200736 reaction equation
[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42](=[O:43])[CH:44]([C:45](=[O:46])[OH:47])[CH:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[CH:78]([N:79]([CH2:80][CH3:81])[CH:82]([CH3:83])[CH3:84])([CH3:85])[CH3:86].[Cl:2][c:3]1[c:4]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([C:12](=[O:13])[O:14][CH:15]1[CH2:16][NH:17][CH:18]([C:20]([NH:21][C:22]3([C:27]([NH:28][S:29](=[O:30])(=[O:31])[CH:32]4[CH2:33][CH2:34]4)=[O:35])[CH:23]([CH2:25][CH3:26])[CH2:24]3)=[O:36])[CH2:19]1)[CH2:5]2.[ClH:1].[O:87]=[CH:88][N:89]([CH3:90])[CH3:91].[OH2:92].[P-:54]([F:55])([F:56])([F:57])([F:58])([F:59])[F:60].[n:61]1([O:62][C:63]([N:64]([CH3:65])[CH3:66])=[N+:67]([CH3:68])[CH3:69])[c:70]2[n:71][cH:72][cH:73][cH:74][c:75]2[n:76][n:77]1>>[Cl:2][c:3]1[c:4]2[c:8]([cH:9][cH:10][cH:11]1)[CH2:7][N:6]([C:12](=[O:13])[O:14][CH:15]1[CH2:16][N:17]([C:45]([CH:44]([C:42]([O:41][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:43])[CH:48]3[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)=[O:46])[CH:18]([C:20]([NH:21][C:22]3([C:27]([NH:28][S:29](=[O:30])(=[O:31])[CH:32]4[CH2:33][CH2:34]4)=[O:35])[CH:23]([CH2:25][CH3:26])[CH2:24]3)=[O:36])[CH2:19]1)[CH2:5]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 76547870HCID 76547870, compoundHCID 76547872HCID 76547872, compound

Product 1

HCID 178435297HCID 178435297, compound

Sources & evidence

ORD record
ord-7dd193bdfe664f43b14ed52242a993f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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