Acetonitrile → HCID 178498096, compound

HRID 1230412Notes

Reaction equation

[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][C:52]#[N:53].[Cl:31][S:32](=[O:33])(=[O:34])[N:35]1[CH:36]([C:40](=[O:41])[O:42][CH3:43])[CH2:37][CH2:38][CH2:39]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[NH:6][C:7]([c:12]1[c:13](=[O:28])[n:14]([CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3[c:21]1[OH:22])=[N:8][S:9]2(=[O:10])=[O:11]>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[NH:6][C:7]([c:12]1[c:13](=[O:28])[n:14]([CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3[c:21]1[OH:22])=[N:8][S:9]2(=[O:10])=[O:11])[S:32](=[O:33])(=[O:34])[N:35]1[CH:36]([C:40](=[O:41])[O:42][CH3:43])[CH2:37][CH2:38][CH2:39]1

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8471Triethylamine

HCID 55280555HCID 55280555, compound

HCID 1354307103-(7-Amino-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2(1H)-one

Product 1

HCID 178498096HCID 178498096, compound

Sources & evidence

ORD record: ord-a2797d3c39b04ea085e3c7855350a292
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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