2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(4-cyano-thiophen-3-yl)-phenoxy]-propyl]-thiazole-4-carboxylic acid → 2-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(2-phenyl-azetidin-1-ylmethyl)-thiazole-4-carboxylic acid

HRID 958247Notes

Reaction equation

[c:48]1([CH:54]2[N:55]([CH2:58][c:59]3[s:60][c:61]([N:62]4[CH2:63][CH2:64][c:65]5[c:66]([c:67]([C:68](=[O:69])[CH:70]=[C:71]6[S:72][c:73]7[cH:74][cH:75][cH:76][cH:77][c:78]7[N:79]6[CH2:80][O:81][CH2:82][CH2:83][Si:84]([CH3:85])([CH3:86])[CH3:87])[cH:88][cH:89][cH:90]5)[CH2:91]4)[n:92][c:93]3[C:94]([O:95][CH3:96])=[O:97])[CH2:56][CH2:57]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[s:1]1[c:2]([NH: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]([CH2:31][CH2:32][CH2:33][O:34][c:35]4[cH:36][cH:37][c:38](-[c:39]5[c:40]([C:41]#[N:42])[cH:43][s:44][cH:45]5)[cH:46][cH:47]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH: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]([CH2:31][N:55]4[CH:54]([c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)[CH2:57][CH2:56]4)[c:26]([C:28](=[O:29])[OH:30])[n:27]2)[CH2:19][CH2:18]3)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

Reactant 2

HCID 468362452-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-{3-[4-(4-cyano-thiophen-3-yl)-phenoxy]-propyl]-thiazole-4-carboxylic acid

HCID 67430836methyl 5-[(2-phenylazetidin-1-yl)methyl]-2-[8-[2-[3-(2-trimethylsilylethoxymethyl)-1,3-benzothiazol-2-ylidene]acetyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylate

Product 1

HCID 468365732-[8-(Benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-(2-phenyl-azetidin-1-ylmethyl)-thiazole-4-carboxylic acid

Sources & evidence

ORD record: ord-d7e9216076f14072abe02036f8975a0e
Source dataset: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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