Hydrochloric Acid → Hydrochloric Acid

HRID 1561031Notes

Reaction equation

HRID 1561031 reaction equation
[ClH:47].[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][c:36]([OH:39])[cH:37][cH:38]3)[c:40]3[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]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][c:23]([CH2:26][CH3:27])[n:24][n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1.[c:48]1([CH:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[CH2:56][NH:57][c:58]2[n:59][c:60]([N:61]3[CH2:62][CH2:63][CH:64]([NH:65][C:72](=[O:73])[NH:74][CH2:75][c:76]4[n:77][cH:78][cH:79][cH:80][cH:81]4)[CH2:66]3)[n:67][c:68]3[c:69]2[n:70][cH:71][n:82]3[CH:83]2[CH2:84][CH:85]([n:86]3[n:87][n:88][c:89]([CH2:90][CH3:91])[n:92]3)[CH:93]([OH:94])[CH:95]2[OH:96])[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[ClH:47].[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][c:36]([OH:39])[cH:37][cH:38]3)[c:40]3[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]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][c:23]([CH2:26][CH3:27])[n:24][n:25]5)[CH2:20]4)[c:14]3[n:15]2)[CH2:5][CH2:6]1)[C:72](=[O:73])[NH:74][CH2:75][c:76]1[n:77][cH:78][cH:79][cH:80][cH:81]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 178438057HCID 178438057, compoundHCID 1784380693-[2-(3-aminopyrrolidin-1-yl)-6-[2,2-bis(4-hydroxyphenyl)ethylamino]purin-9-yl]-5-(5-ethyltetrazol-2-yl)cyclopentane-1,2-diol

Product 2

HCID 313Hydrochloric AcidHCID 178438072HCID 178438072, compound

Sources & evidence

ORD record
ord-1b2ddd1fc7484b2ea9e0ce7a0e833ad6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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