Hydrochloric Acid → HCID 44197695, compound

HRID 2158081Notes

Reaction equation

HRID 2158081 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH:1]1([CH:7]([C:8](=[O:9])[OH:10])[n:11]2[c:12](-[c:22]3[c:23]([O:30][CH3:31])[n:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[n:13][c:14]3[c:15]2[cH:16][c:17]([F:21])[c:18]([F:20])[cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:72][CH2:73][Cl:74].[ClH:63].[NH2:64][CH:65]1[CH2:66][CH2:67][CH:68]([OH:71])[CH2:69][CH2:70]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH:1]1([CH:7]([C:8](=[O:9])[NH:64][CH:65]2[CH2:66][CH2:67][CH:68]([OH:71])[CH2:69][CH2:70]2)[n:11]2[c:12](-[c:22]3[c:23]([O:30][CH3:31])[n:24][c:25]([O:28][CH3:29])[cH:26][cH:27]3)[n:13][c:14]3[c:15]2[cH:16][c:17]([F:21])[c:18]([F:20])[cH:19]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 812934-AminocyclohexanolHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66619285Cyclohexyl-[2-(2,6-dimethoxy-pyridin-3-yl)-5,6-difluoro-benzoimidazol-1-yl]-acetic acid

Product 1

HCID 44197695HCID 44197695, compound

Sources & evidence

ORD record
ord-a8b1871b4c314a91bfea86b2fb927803
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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