Hydrochloric Acid → Hydrochloric Acid

HRID 1126356Notes

Reaction equation

[ClH:45].[NH2:1][CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]5[n:22][cH:23][c:24]([CH2:26][CH3:27])[n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[c:46]1([CH:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[CH2:54][NH:55][c:56]2[n:57][c:58]([N:59]3[CH2:60][CH2:61][CH:62]([NH:63][C:70](=[O:71])[NH:72][CH2:73][c:74]4[n:75][cH:76][cH:77][cH:78][cH:79]4)[CH2:64]3)[n:65][c:66]3[c:67]2[n:68][cH:69][n:80]3[CH:81]2[CH2:82][CH:83]([n:84]3[n:85][n:86][c:87]([CH2:88][CH3:89])[n:90]3)[CH:91]([OH:92])[CH:93]2[OH:94])[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[ClH:45].[NH:1]([CH:2]1[CH2:3][N:4]([c:7]2[n:8][c:9]([NH:30][CH2:31][CH:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:10]3[n:11][cH:12][n:13]([CH:16]4[CH:17]([OH:29])[CH:18]([OH:28])[CH:19]([n:21]5[n:22][cH:23][c:24]([CH2:26][CH3:27])[n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1)[C:70](=[O:71])[NH:72][CH2:73][c:74]1[n:75][cH:76][cH:77][cH:78][cH:79]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 1784372233-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diol

HCID 178438057HCID 178438057, compound

Product 2

HCID 313Hydrochloric Acid

HCID 1784372251-[1-[6-(2,2-diphenylethylamino)-9-[4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(pyridin-2-ylmethyl)urea

Sources & evidence

ORD record: ord-6d959df896704be9a91aec14a14639d8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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