Methanol → HCID 178460365, compound

HRID 1116645Notes

Reaction equation

HRID 1116645 reaction equation
[CH3:68][O:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:77][OH:78].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[NH:15][c:16]3[n:17][c:18]([S:46][CH2:47][c:48]4[c:49]([F:55])[c:50]([F:54])[cH:51][cH:52][cH:53]4)[n:19][c:20]([O:22][CH:23]([CH2:24][O:25][C:26]([c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)([c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)[CH3:45])[cH:21]3)[o:11]2)[CH2:2][CH2:3][CH2:4]1.[OH2:56].[OH2:76].[c:57]1([CH3:58])[cH:59][cH:60][c:61]([S:62]([OH:63])(=[O:64])=[O:65])[cH:66][cH:67]1>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([S:12](=[O:13])(=[O:14])[NH:15][c:16]3[n:17][c:18]([S:46][CH2:47][c:48]4[c:49]([F:55])[c:50]([F:54])[cH:51][cH:52][cH:53]4)[n:19][c:20]([O:22][CH:23]([CH2:24][OH:25])[CH3:45])[cH:21]3)[o:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 887MethanolHCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 7519AnisoleHCID 1784589945-(azetidine-1-carbonyl)-N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(1-trityloxypropan-2-yloxy)pyrimidin-4-yl]furan-2-sulfonamide

Product 1

HCID 178460365HCID 178460365, compound

Sources & evidence

ORD record
ord-bd3fd324ef624bed8d526b794193a50b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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