HCID 67387166, compound → HCID 67387912, compound

HRID 95748Notes

Reaction equation

HRID 95748 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([O:14][CH:15]2[CH2:16][N:17]3[C:18](=[O:38])[N:19]([CH3:37])[CH2:20][CH2:21][CH2:22][CH2:23][CH:24]=[CH:25][CH:26]4[CH2:27][C:28]4([C:34](=[O:35])[OH:36])[NH:29][C:30](=[O:33])[CH:31]3[CH2:32]2)[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cl:39][c:40]1[n:41][c:42]([O:43][CH:44]2[CH2:45][CH:46]3[N:47]([C:48](=[O:49])[N:50]([CH3:51])[CH2:52][CH2:53][CH2:54][CH2:55][CH:56]=[CH:57][CH:58]4[C:59]([C:60](=[O:61])[NH:74][S:75](=[O:76])(=[O:77])[CH:78]5[CH2:79][CH2:80]5)([NH:62][C:63]3=[O:64])[CH2:65]4)[CH2:66]2)[c:67]2[c:68]([cH:69]1)[cH:70][c:71]([O:72][CH3:73])[cH:81][cH:82]2>>[Br:1][c:2]1[cH:3][n:4][c:5]([O:14][CH:15]2[CH2:16][N:17]3[C:18](=[O:38])[N:19]([CH3:37])[CH2:20][CH2:21][CH2:22][CH2:23][CH:24]=[CH:25][CH:26]4[CH2:27][C:28]4([C:34](=[O:36])[NH:74][S:75](=[O:76])(=[O:77])[CH:78]4[CH2:79][CH2:80]4)[NH:29][C:30](=[O:33])[CH:31]3[CH2:32]2)[c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

3

Reactant 2

HCID 67387166HCID 67387166, compoundHCID 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 67387912HCID 67387912, compound

Sources & evidence

ORD record
ord-8d642771a83e462c885847c808933ca9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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