HCID 20755373, compound → HCID 10182126, compound

HRID 172949Notes

Reaction equation

HRID 172949 reaction equation
[C:1]([O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[C:11](=[O:12])[c:13]3[cH:14][c:15]([C:16]#[C:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25][cH:26][c:27]3[N:28]([CH3:29])[S:30]2=[O:31])[cH:32][cH:33]1)([CH3:34])([CH3:35])[CH3:36].[C:37]([CH3:38])([CH3:39])([CH3:40])[O:41][C:42]([c:43]1[cH:44][cH:45][c:46]([CH2:49][N:50]2[S:51](=[O:70])(=[O:71])[c:52]3[c:53]([cH:57][cH:58][c:59]([C:61]#[C:62][CH2:63][c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[cH:60]3)[NH:54][C:55]2=[O:56])[cH:47][cH:48]1)=[O:72]>>[O:41]=[C:42]([c:43]1[cH:44][cH:45][c:46]([CH2:49][N:50]2[S:51](=[O:70])(=[O:71])[c:52]3[c:53]([cH:57][cH:58][c:59]([C:61]#[C:62][CH2:63][c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[cH:60]3)[NH:54][C:55]2=[O:56])[cH:47][cH:48]1)[OH:72]

Participants

3

Reactant 2

HCID 20755373HCID 20755373, compoundHCID 207553754-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,4-dihydro-2H-2lambda4-benzo[1,2,6]thiadiazin-3-ylmethyl]benzoic acid tert-butyl ester

Product 1

HCID 10182126HCID 10182126, compound

Sources & evidence

ORD record
ord-0d51172b8d8c4df0b8c6b01bb78480b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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