Hydrochloric Acid → HCID 178498052, compound

HRID 2344497Notes

Reaction equation

HRID 2344497 reaction equation
[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:29])[OH:30])[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:82][CH2:83][Cl:84].[ClH:41].[NH2:42][c:43]1[cH:44][cH:45][c:46]([N:49]2[CH:50]([C:54](=[O:55])[O:56][CH3:57])[CH2:51][CH2:52][CH2:53]2)[cH:47][cH:48]1.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[n:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[Cl:1][c:2]1[c:3]([F:31])[c:4]([CH:8]2[CH:9]([C:28](=[O:30])[NH:42][c:43]3[cH:44][cH:45][c:46]([N:49]4[CH:50]([C:54](=[O:55])[O:56][CH3:57])[CH2:51][CH2:52][CH2:53]4)[cH:47][cH:48]3)[NH:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 53402843HCID 53402843, compoundHCID 666882513-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid

Product 1

HCID 178498052HCID 178498052, compound

Sources & evidence

ORD record
ord-801c5bdb92564f10bebbe2afa2a4e13c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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