Dimethylformamide → Capadenoson

HRID 2348120Notes

Reaction equation

HRID 2348120 reaction equation
[Cl:34][CH2:35][c:36]1[n:37][c:38](-[c:41]2[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[s:39][cH:40]1.[N:23]12[CH2:24][CH2:25][CH2:26][N:27]=[C:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2.[NH2:1][c:2]1[n:3][c:4]([SH:22])[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[NH2:1][c:2]1[n:3][c:4]([S:22][CH2:35][c:36]2[n:37][c:38](-[c:41]3[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]3)[s:39][cH:40]2)[c:5]([C:20]#[N:21])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][OH:19])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 6102974-(Chloromethyl)-2-(4-chlorophenyl)-1,3-thiazoleHCID 178510483HCID 178510483, compound

Product 1

HCID 9936489Capadenoson

Sources & evidence

ORD record
ord-fb9171029da34392b2913481c9591113
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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