Water → HCID 178427354, compound

HRID 1129533Notes

Reaction equation

[CH3:10][S:11](=[O:12])(=[O:13])[c:14]1[n:15][cH:16][c:17]([C:43]#[N:44])[c:18](-[c:20]2[cH:21][n:22]([S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]3)[c:23]3[n:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][c:28]23)[n:19]1.[CH3:46][C:47]#[N:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[OH2:45]>>[c:14]1([OH:45])[n:15][cH:16][c:17]([C:43]#[N:44])[c:18](-[c:20]2[cH:21][n:22]([S:33](=[O:34])(=[O:35])[c:36]3[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]3)[c:23]3[n:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][c:28]23)[n:19]1

Participants

Reactant 4

HCID 962Water

HCID 6342Acetonitrile

HCID 81531Diisopropylethylamine

HCID 594143252-Methylsulfonyl-4-[1-(p-tolylsulfonyl)-5-(trifluoromethyl)-pyrrolo[5,4-b]pyridin-3-yl]pyrimidine-5-carbonitrile

Product 1

HCID 178427354HCID 178427354, compound

Sources & evidence

ORD record: ord-e40f0f434a404ef88beddb1881a03303
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…