p-Toluenesulfonic acid → p-Toluenesulfonic acid

HRID 1563646Notes

Reaction equation

HRID 1563646 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][cH:22][c:23](-[c:25]2[n:26][n:27][c:28]([O:30][CH:31]3[CH:32]4[CH2:33][N:34]5[CH2:35][CH:36]([CH2:37][CH:38]3[CH2:39]5)[CH2:40]4)[s:29]2)[cH:24]1.[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]1.[c:52]1([CH3:62])[cH:53][cH:54][c:55]([S:58](=[O:59])(=[O:60])[OH:61])[cH:56][cH:57]1.[nH:63]1[cH:64][c:65](-[c:66]2[s:67][c:68]([O:69][CH:70]3[CH:71]4[CH2:72][N:73]5[CH2:74][CH:75]([CH2:76][CH:77]3[CH2:78]5)[CH2:79]4)[n:80][cH:81]2)[cH:82][n:83]1>>[c:41]1([CH3:51])[cH:42][cH:43][c:44]([S:47](=[O:48])(=[O:49])[OH:50])[cH:45][cH:46]1.[c:52]1([CH3:62])[cH:53][cH:54][c:55]([S:58](=[O:59])(=[O:60])[OH:61])[cH:56][cH:57]1.[n:20]1[nH:21][cH:22][c:23](-[c:25]2[n:26][n:27][c:28]([O:30][CH:31]3[CH:32]4[CH2:33][N:34]5[CH2:35][CH:36]([CH2:37][CH:38]3[CH2:39]5)[CH2:40]4)[s:29]2)[cH:24]1

Participants

5

Reactant 3

HCID 6101p-Toluenesulfonic acid2×HCID 866213402-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-(1H-pyrazol-4-yl)-1,3-thiazoleHCID 86621351(4s)-4-[5-(1-Trityl-1H-pyrazol-4-yl)-1,3,4-thiadiazol-2-yloxy]-1-azatricyclo[3.3.1.13,7]decane

Product 2

HCID 6101p-Toluenesulfonic acid2×HCID 1358710682-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-(1H-pyrazol-4-yl)-1,3,4-thiadiazole

Sources & evidence

ORD record
ord-b205eab234384cbb8aeacfd10876f073
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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