tert-Butyl (piperazin-1-yl)acetate → HCID 53864541, compound

HRID 2162159Notes

Reaction equation

HRID 2162159 reaction equation
[C:1]([N:2]1[CH2:3][CH2:4][N:5]([CH2:6][C:7]([NH:8][c:9]2[cH:10][c:11]([C:15]([NH:16][CH2:17][CH2:18][C:19]([OH:20])=[O:21])=[O:22])[cH:12][cH:13][cH:14]2)=[O:23])[CH2:24][CH2:25]1)(=[NH:26])[NH2:27].[C:28](=[O:29])([O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]1[CH2:39][CH2:40][N:41]([CH:44]([C:45](=[O:46])[NH:47][c:48]2[cH:49][c:50]([C:54]([NH:55][CH2:56][CH2:57][C:58]([O:59][CH2:60][c:61]3[cH:62][cH:63][cH:64][cH:65][cH:66]3)=[O:67])=[O:68])[cH:51][cH:52][cH:53]2)[C:69]([NH2:70])=[NH:71])[CH2:42][CH2:43]1.[C:86]([NH:87][C:88](=[NH:89])[S:90][CH3:91])([O:92][CH2:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100].[N:72]1([CH2:73][C:74](=[O:75])[O:81][C:82]([CH3:83])([CH3:84])[CH3:85])[CH2:76][CH2:77][NH:78][CH2:79][CH2:80]1>>[C:28](=[O:29])([O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[N:38]1[CH2:39][CH2:40][N:41]([CH:44]([C:45](=[O:46])[O:81][C:82]([CH3:83])([CH3:84])[CH3:85])[C:69]([NH2:70])=[NH:71])[CH2:42][CH2:43]1

Participants

5

Reactant 4

HCID 2757326tert-Butyl (piperazin-1-yl)acetateHCID 9821029HCID 9821029, compoundHCID 53812397HCID 53812397, compoundHCID 140362141Benzyl [amino(methylsulfanyl)methylene]carbamate

Product 1

HCID 53864541HCID 53864541, compound

Sources & evidence

ORD record
ord-2eb19ffec429428999b0f56ca4cd5b4a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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