17-[3-(2-Isopropylaminothiazol-4-yl)-6-methoxyisoquinolin-1-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid → N-[17-[3-(2-isopropylaminothiazol-4-yl)-6-methoxyisoquinolin-1-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide

HRID 2129597Notes

Reaction equation

HRID 2129597 reaction equation
[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[s:6][cH:7][c:8](-[c:10]2[n:11][c:12]([O:22][CH:23]3[CH2:24][N:25]4[C:26](=[O:46])[N:27]([CH3:45])[CH2:28][CH2:29][CH2:30][CH2:31][CH:32]=[CH:33][CH:34]5[CH2:35][C:36]5([C:42](=[O:43])[OH:44])[NH:37][C:38](=[O:41])[CH:39]4[CH2:40]3)[c:13]3[cH:14][cH:15][c:16]([O:20][CH3:21])[cH:17][c:18]3[cH:19]2)[n:9]1.[Cl:47][c:48]1[n:49][c:50]([O:51][CH:52]2[CH2:53][CH:54]3[N:55]([C:56](=[O:57])[N:58]([CH3:59])[CH2:60][CH2:61][CH2:62][CH2:63][CH:64]=[CH:65][CH:66]4[C:67]([C:68](=[O:69])[NH:82][S:83](=[O:84])(=[O:85])[CH:86]5[CH2:87][CH2:88]5)([NH:70][C:71]3=[O:72])[CH2:73]4)[CH2:74]2)[c:75]2[c:76]([cH:77]1)[cH:78][c:79]([O:80][CH3:81])[cH:89][cH:90]2>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[s:6][cH:7][c:8](-[c:10]2[n:11][c:12]([O:22][CH:23]3[CH2:24][N:25]4[C:26](=[O:46])[N:27]([CH3:45])[CH2:28][CH2:29][CH2:30][CH2:31][CH:32]=[CH:33][CH:34]5[CH2:35][C:36]5([C:42](=[O:43])[NH:82][S:83](=[O:84])(=[O:85])[CH:86]5[CH2:87][CH2:88]5)[NH:37][C:38](=[O:41])[CH:39]4[CH2:40]3)[c:13]3[cH:14][cH:15][c:16]([O:20][CH3:21])[cH:17][c:18]3[cH:19]2)[n:9]1

Participants

3

Reactant 2

HCID 7667482417-[3-(2-Isopropylaminothiazol-4-yl)-6-methoxyisoquinolin-1-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acidHCID 76674828N-[17-(3-chloro-6-methoxyisoquinolin-1-yloxy)-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclopropyl) sulfonamide

Product 1

HCID 76674830N-[17-[3-(2-isopropylaminothiazol-4-yl)-6-methoxyisoquinolin-1-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide

Sources & evidence

ORD record
ord-29c8a056c7ff4944977aae2dca3e7da6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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