Dimethylformamide → ethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-hydroxyprop-1-ynyl)thiazole-4-carboxylate
Reaction equation
[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cl:58][CH2:59][Cl:60].[Cu:61][I:62].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:42][CH2:43][C:44]#[CH:45].[Pd:63]([Cl:64])[Cl:65].[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1.[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([Br:33])[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:27]2)[CH2:19][CH2:18]3)[CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][c:17]3[c:22]2[CH2:21][N:20]([c:23]2[s:24][c:25]([C:45]#[C:44][CH2:43][OH:42])[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:27]2)[CH2:19][CH2:18]3)[CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2Participants
9
Reactant 8
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 7859Propargyl alcohol
HCID 8471Triethylamine
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 59447650ethyl 2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-bromothiazole-4-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-63e5c675ded54474bbc0304cba02ca4d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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