Methanol → [18-(Isoquinolin-1-yloxy)-2,15-dioxo-4-(propane-2-sulfonylaminocarbonyl)-3,16-diaza-tricyclo-[14.3.0.04,6]nonadec-7-en-14-yl]-carbamic acid tert-butyl ester

HRID 1553368Notes

Reaction equation

HRID 1553368 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:41](=[O:42])[OH:43])[NH:20][C:21](=[O:40])[CH:22]2[CH2:23][CH:24]([O:29][c:30]3[n:31][cH:32][cH:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[CH2:25][N:26]2[C:27]1=[O:28].[C:44]([n:45]1[cH:46][cH:47][n:48][cH:49]1)([n:50]1[cH:51][cH:52][n:53][cH:54]1)=[O:55].[CH2:63]1[CH2:64][CH2:65][C:66]2=[N:71][CH2:70][CH2:69][CH2:68][N:67]2[CH2:72][CH2:73]1.[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH2:81]([Cl:82])[Cl:83].[CH3:79][OH:80].[CH:56]([CH3:57])([CH3:58])[S:59](=[O:60])(=[O:61])[NH2:62]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:41](=[O:42])[NH:62][S:59]([CH:56]([CH3:57])[CH3:58])(=[O:60])=[O:61])[NH:20][C:21](=[O:40])[CH:22]2[CH2:23][CH:24]([O:29][c:30]3[n:31][cH:32][cH:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[CH2:25][N:26]2[C:27]1=[O:28]

Participants

8

Reactant 7

HCID 887MethanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 682631,1'-CarbonyldiimidazoleHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 3549191Propane-2-sulfonamideHCID 7242743414-Tert-butoxycarbonylamino-18-(isoquinolin-1-yloxy)-2,15-dioxo-3,16-diaza-tricyclo[14.3.0.04,6]-nonadec-7-ene-4-carboxylic acid

Product 1

HCID 68751777[18-(Isoquinolin-1-yloxy)-2,15-dioxo-4-(propane-2-sulfonylaminocarbonyl)-3,16-diaza-tricyclo-[14.3.0.04,6]nonadec-7-en-14-yl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-d8b6081cdb0f4af6b4141d253861d518
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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