Bromide ion → 1-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)cyclopropanamine

HRID 314317Notes

Reaction equation

HRID 314317 reaction equation
[Br-:1].[CH2:2]([CH3:3])[Mg+:4].[CH2:35]([O:36][CH2:37][CH3:38])[CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH:48]([CH3:49])[O-:50].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:56][CH:57]([CH3:58])[O-:59].[CH3:60][CH:61]([CH3:62])[O-:63].[Cl:64][CH2:65][Cl:66].[ClH:32].[F:5][c:6]1[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]1-[c:14]1[s:15][c:16]2[n:17][c:18]([C:23]3([c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[CH2:24][CH2:25]3)[cH:19][cH:20][c:21]2[n:22]1.[Na+:34].[OH-:33].[Ti+4:51]>>[CH2:2]1[CH2:3][C:9]1([c:8]1[cH:7][c:6]([F:5])[c:13](-[c:14]2[s:15][c:16]3[n:17][c:18]([C:23]4([c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[CH2:24][CH2:25]4)[cH:19][cH:20][c:21]3[n:22]2)[cH:12][cH:11]1)[NH2:10]

Participants

12

Reactant 11

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 671117463-Fluoro-4-(5-(1-phenylcyclopropyl)-thiazolo[5,4-b]pyridine-2-yl)benzonitrileHCID 178461628HCID 178461628, compound

Product 1

HCID 446011061-(3-Fluoro-4-(5-(1-phenylcyclopropyl)thiazolo[5,4-b]pyridin-2-yl)phenyl)cyclopropanamine

Sources & evidence

ORD record
ord-de5ee546e71c4edda3de319a78649e65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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