6-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-{3-[4-(4-methyl-piperazin-1-yl)-phenoxy]-propyl}-pyridine-2-carboxylic acid → 6-(8-(Benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(4-(1-methylpiperidin-4-ylamino)phenoxy)propyl)picolinic acid

HRID 308527Notes

Reaction equation

HRID 308527 reaction equation
[s:1]1[c:2]2[cH:3][cH:4][cH:5][cH:6][c:7]2[n:8][c:9]1[NH:10][C:11]([c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]1[CH2:18][N:19]([c:20]1[n:21][c:22]([C:23]([OH:24])=[O:25])[c:26]([CH2:27][CH2:28][CH2:29][O:30][c:31]3[cH:32][cH:33][c:34]([N:35]4[CH2:36][CH2:37][N:38]([CH3:39])[CH2:40][CH2:41]4)[cH:42][cH:43]3)[cH:44][cH:45]1)[CH2:46][CH2:47]2)=[O:48].[s:49]1[c:50]([NH:58][C:59](=[O:60])[c:61]2[cH:62][cH:63][cH:64][c:65]3[c:70]2[CH2:69][N:68]([c:71]2[cH:72][cH:73][c:74]([CH2:84][CH2:85][CH2:86][O:87][c:88]4[cH:89][cH:90][c:91]([NH:94][CH:95]5[CH2:96][CH2:97][N:98]([CH3:101])[CH2:99][CH2:100]5)[cH:92][cH:93]4)[c:75]([C:77](=[O:78])[O:79][C:80]([CH3:81])([CH3:82])[CH3:83])[n:76]2)[CH2:67][CH2:66]3)[n:51][c:52]2[c:53]1[cH:54][cH:55][cH:56][cH:57]2>>[s:49]1[c:50]([NH:58][C:59](=[O:60])[c:61]2[cH:62][cH:63][cH:64][c:65]3[c:70]2[CH2:69][N:68]([c:71]2[cH:72][cH:73][c:74]([CH2:84][CH2:85][CH2:86][O:87][c:88]4[cH:89][cH:90][c:91]([NH:94][CH:95]5[CH2:96][CH2:97][N:98]([CH3:101])[CH2:99][CH2:100]5)[cH:92][cH:93]4)[c:75]([C:77](=[O:78])[OH:79])[n:76]2)[CH2:67][CH2:66]3)[n:51][c:52]2[c:53]1[cH:54][cH:55][cH:56][cH:57]2

Participants

3

Reactant 2

HCID 468368666-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-{3-[4-(4-methyl-piperazin-1-yl)-phenoxy]-propyl}-pyridine-2-carboxylic acidHCID 59447558tert-butyl 6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(4-(1-methylpiperidin-4-ylamino)phenoxy)propyl)picolinate

Product 1

HCID 594474736-(8-(Benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(3-(4-(1-methylpiperidin-4-ylamino)phenoxy)propyl)picolinic acid

Sources & evidence

ORD record
ord-692031c1388541ebbaedb40fdac0bcc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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