Sodium ion → 2-Methyl-5-[3-[2-(2-methylpyrrolidin-1-yl)ethyl]isoquinolin-7-yl]-1,3-benzothiazole

HRID 303053Notes

Reaction equation

HRID 303053 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][c:10]2[cH:11]1.[C:64](=[O:65])([O-:66])[O-:67].[CH3:20][c:21]1[s:22][c:23]2[c:24]([n:25]1)[cH:26][c:27]([B:30]1[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]1)[cH:28][cH:29]2.[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2-[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[CH:70]([OH:71])([CH3:72])[CH3:73].[Cl:74][CH2:75][Cl:76].[Na+:68].[Na+:69].[Pd:77]([Cl:78])[Cl:79].[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:27]2[cH:26][c:24]3[c:23]([s:22][c:21]([CH3:20])[n:25]3)[cH:29][cH:28]2)[cH:3][cH:4][c:5]2[cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][c:10]2[cH:11]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 3776IsopropanolHCID 6344DichloromethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27342162-(Dicyclohexylphosphino)biphenylHCID 219800732-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazoleHCID 178426166HCID 178426166, compound

Product 1

HCID 116467462-Methyl-5-[3-[2-(2-methylpyrrolidin-1-yl)ethyl]isoquinolin-7-yl]-1,3-benzothiazole

Sources & evidence

ORD record
ord-31809ed7c63d460999c25c6fabc0332f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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