Hydrochloric Acid → Hydrochloric Acid

HRID 1225963Notes

Reaction equation

HRID 1225963 reaction equation
[ClH:45].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([c:6]2[n:7][c:8]3[c:9]([n:10][cH:11][n:12]3[CH:13]3[CH2:14][CH:15]([n:16]4[n:17][n:18][c:19]([CH2:20][CH3:21])[n:22]4)[CH:23]([OH:24])[CH:25]3[OH:26])[c:27]([NH:28][CH2:29][CH:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[n:43]2)[CH2:44]1.[c:46]1([CH:52]([CH2:53][NH:54][c:55]2[c:56]3[n:57][cH:58][n:59]([CH:81]4[CH:82]([OH:94])[CH:83]([OH:93])[CH:84]([n:86]5[n:87][c:88]([CH2:91][CH3:92])[n:89][n:90]5)[CH2:85]4)[c:60]3[n:61][c:62]([N:64]3[CH2:65][CH:66]([NH:69][C:70](=[O:71])[NH:72][c:73]4[cH:74][n:75][c:76]([O:77][CH3:78])[cH:79][cH:80]4)[CH2:67][CH2:68]3)[n:63]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[nH:101]1[n:102][n:103][n:104][c:105]1-[c:106]1[cH:107][c:108]([NH2:112])[cH:109][cH:110][cH:111]1>>[ClH:45].[c:46]1([CH:52]([CH2:53][NH:54][c:55]2[c:56]3[n:57][cH:58][n:59]([CH:81]4[CH:82]([OH:94])[CH:83]([OH:93])[CH:84]([n:86]5[n:87][c:88]([CH2:91][CH3:92])[n:89][n:90]5)[CH2:85]4)[c:60]3[n:61][c:62]([N:64]3[CH2:65][CH:66]([NH:69][C:70](=[O:71])[NH:112][c:108]4[cH:107][c:106](-[c:105]5[nH:101][n:102][n:103][n:104]5)[cH:111][cH:110][cH:109]4)[CH2:67][CH2:68]3)[n:63]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 693605293-[2-(3-Aminopyrrolidin-1-yl)-6-(2,2-diphenylethylamino)purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diolHCID 77182354HCID 77182354, compoundHCID 178507542HCID 178507542, compound

Product 2

HCID 313Hydrochloric AcidHCID 178438055HCID 178438055, compound

Sources & evidence

ORD record
ord-894773ec108d40f594cfea31597e0186
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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