HCID 67387929, compound → HCID 67387569, compound

HRID 1561670Notes

Reaction equation

HRID 1561670 reaction equation
[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:9]2[n:10][c:11]([O:21][CH:22]3[CH2:23][N:24]4[C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[CH2:34][C:35]5([C:41](=[O:42])[OH:43])[NH:36][C:37](=[O:40])[CH:38]4[CH2:39]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH3:20])[cH:16][c:17]3[cH:18]2)[s:7][cH:8]1.[Cl:46][c:47]1[n:48][c:49]([O:50][CH:51]2[CH2:52][CH:53]3[N:54]([C:55](=[O:56])[N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH:63]=[CH:64][CH:65]4[C:66]([C:67](=[O:68])[NH:81][S:82](=[O:83])(=[O:84])[CH:85]5[CH2:86][CH2:87]5)([NH:69][C:70]3=[O:71])[CH2:72]4)[CH2:73]2)[c:74]2[c:75]([cH:76]1)[cH:77][c:78]([O:79][CH3:80])[cH:88][cH:89]2>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6](-[c:9]2[n:10][c:11]([O:21][CH:22]3[CH2:23][N:24]4[C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[CH2:34][C:35]5([C:41](=[O:43])[NH:81][S:82](=[O:83])(=[O:84])[CH:85]5[CH2:86][CH2:87]5)[NH:36][C:37](=[O:40])[CH:38]4[CH2:39]3)[c:12]3[cH:13][cH:14][c:15]([O:19][CH3:20])[cH:16][c:17]3[cH:18]2)[s:7][cH:8]1

Participants

3

Reactant 2

HCID 67387929HCID 67387929, 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 67387569HCID 67387569, compound

Sources & evidence

ORD record
ord-38a7d3fef9c74273a42bec4525e0bb53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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