Methanol → HCID 135529059, compound

HRID 1213136Notes

Reaction equation

HRID 1213136 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:14]2[n:15][n:16]3[c:17]([c:18](=[O:20])[nH:19]2)[c:21]([CH3:27])[n:22][c:23]3[CH2:24][CH2:25][CH3:26])[cH:6][c:7]([S:10](=[O:11])(=[O:12])[Cl:13])[cH:8][cH:9]1.[CH2:55]([O:56][c:57]1[cH:58][cH:59][c:60]([S:61]([N:62]2[CH2:63][CH2:64][N:65]([P:66]([O:67][CH3:68])([O:69][CH3:70])=[O:71])[CH2:72][CH:73]2[CH3:74])(=[O:75])=[O:76])[cH:77][c:78]1-[c:79]1[nH:80][c:81](=[O:82])[c:83]2[c:84]([CH3:85])[n:86][c:87]([CH2:88][CH2:89][CH3:90])[n:91]2[n:92]1)[CH3:93].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:42][O:43][P:44](=[O:45])([O:46][CH3:47])[CH2:48][N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[CH3:94][OH:95].[Cl:96][CH2:97][Cl:98].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:14]2[n:15][n:16]3[c:17]([c:18](=[O:20])[nH:19]2)[c:21]([CH3:27])[n:22][c:23]3[CH2:24][CH2:25][CH3:26])[cH:6][c:7]([S:10](=[O:11])(=[O:12])[N:52]2[CH2:51][CH2:50][N:49]([CH2:48][P:44]([O:43][CH3:42])(=[O:45])[O:46][CH3:47])[CH2:54][CH2:53]2)[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 887MethanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 21918882Phosphonic acid, (1-piperazinylmethyl)-, dimethyl esterHCID 1354301594-Ethoxy-3-(5-methyl-4-oxo-7-propyl-1,4-dihydroimidazo[5,1-f][1,2,4]triazin-2-yl)benzene-1-sulfonyl chlorideHCID 136351949HCID 136351949, compound

Product 1

HCID 135529059HCID 135529059, compound

Sources & evidence

ORD record
ord-11c3aa662b1b4509b464893d62ebec96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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