Methanol → 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2,3-dihydroxypropyl)-6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

HRID 698736Notes

Reaction equation

HRID 698736 reaction equation
[CH3:75][OH:76].[F:1][C:2]1([F:41])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19]5[cH:20][c:21]([C:35]([CH3:36])([CH2:37][CH2:38][OH:39])[CH3:40])[n:22]([CH2:27][CH:28]6[O:29][C:30]([CH3:33])([CH3:34])[O:31][CH2:32]6)[c:23]5[cH:24][c:25]4[F:26])[CH2:12][CH2:13]3)[cH:10]2)[O:6]1.[F:42][C:43]1([F:44])[O:45][c:46]2[cH:47][cH:48][c:49]([C:50]3([C:51]([NH:52][c:53]4[cH:54][c:55]5[c:56]([cH:57][c:58]4[F:59])[nH:60][c:61]([C:62]([CH3:63])([CH2:64][CH2:65][OH:66])[CH3:67])[cH:68]5)=[O:69])[CH2:70][CH2:71]3)[cH:72][c:73]2[O:74]1.[OH2:77]>>[F:1][C:2]1([F:41])[O:3][c:4]2[c:5]([cH:7][cH:8][c:9]([C:11]3([C:14](=[O:15])[NH:16][c:17]4[cH:18][c:19]5[cH:20][c:21]([C:35]([CH3:36])([CH2:37][CH2:38][OH:39])[CH3:40])[n:22]([CH2:27][CH:28]([OH:29])[CH2:32][OH:31])[c:23]5[cH:24][c:25]4[F:26])[CH2:12][CH2:13]3)[cH:10]2)[O:6]1

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 591295491-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamideHCID 670442021-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

Product 1

HCID 670441851-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2,3-dihydroxypropyl)-6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

Sources & evidence

ORD record
ord-8b10624608cc4500aee0c9b7d405a6f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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