HCID 178468933, compound → HCID 178524389, compound

HRID 1235757Notes

Reaction equation

HRID 1235757 reaction equation
[O:1]=[c:2]1[nH:3][c:4]([C:5]([NH:6][CH2:7][c:8]2[cH:9][cH:10][n:11][c:12]([O:13][CH2:14][CH2:15][CH2:16][c:17]3[n:18][cH:19][nH:20][n:21]3)[cH:22]2)=[O:23])[n:24][c:25]2[s:26][cH:27][c:28]([CH2:29][O:30][CH2:31][c:32]3[cH:33][cH:34][c:35]([C:36]([O:37][CH2:38][CH3:39])=[O:40])[cH:41][cH:42]3)[c:43]12.[O:44]=[c:45]1[c:46]2[c:47]([n:48][c:49]([C:51]([NH:52][CH2:53][c:54]3[cH:55][c:56]([O:60][CH2:61][CH2:62][O:63][c:64]4[n:65][nH:66][cH:67][n:68]4)[cH:57][cH:58][cH:59]3)=[O:69])[nH:50]1)[s:70][cH:71][c:72]2[CH2:73][O:74][CH2:75][c:76]1[cH:77][cH:78][c:79]([C:80](=[O:81])[O:82][CH2:83][CH3:84])[cH:85][cH:86]1>>[O:44]=[c:45]1[c:46]2[c:47]([n:48][c:49]([C:51]([NH:52][CH2:53][c:54]3[cH:55][c:56]([O:60][CH2:61][CH2:62][O:63][c:64]4[n:65][nH:66][cH:67][n:68]4)[cH:57][cH:58][cH:59]3)=[O:69])[nH:50]1)[s:70][cH:71][c:72]2[CH2:73][O:74][CH2:75][c:76]1[cH:77][cH:78][c:79]([C:80](=[O:81])[OH:82])[cH:85][cH:86]1

Participants

3

Reactant 2

HCID 178468933HCID 178468933, compoundHCID 178468934HCID 178468934, compound

Product 1

HCID 178524389HCID 178524389, compound

Sources & evidence

ORD record
ord-ab23fd3b479a4b849dc9bd9fb676aba5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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