Hydrochloric Acid → Hydrochloric Acid

HRID 2318383Notes

Reaction equation

HRID 2318383 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][c:73]4[cH:74][cH:75][n:76][cH:77][cH:78]4)[CH2:64]3)[n:65][c:66]3[c:67]2[n:68][cH:69][n:79]3[CH:80]2[CH2:81][CH:82]([n:83]3[n:84][n:85][c:86]([CH2:87][CH3:88])[n:89]3)[CH:90]([OH:91])[CH:92]2[OH:93])[cH:94][cH:95][cH:96][cH:97][cH:98]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][c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 1784372233-[2-(3-aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(4-ethyltriazol-2-yl)cyclopentane-1,2-diolHCID 178438056HCID 178438056, compound

Product 2

HCID 313Hydrochloric AcidHCID 178437224HCID 178437224, compound

Sources & evidence

ORD record
ord-bfe589c424184d2dbb4a35395d29515d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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