Acetic Acid → HCID 54463668, compound

HRID 1545098Notes

Reaction equation

HRID 1545098 reaction equation
[CH3:1][O:2][N:3]=[C:4]([C:5](=[O:6])[OH:7])[c:8]1[n:9][c:10]([NH:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[s:11][cH:12]1.[CH3:81][C:82](=[O:83])[OH:84].[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[NH2:43][CH:44]1[CH:45]2[S:46][CH2:47][C:48]([c:69]3[cH:70][n:71][c:72]([CH2:74][c:75]4[cH:76][n:77][cH:78][cH:79][cH:80]4)[s:73]3)=[C:49]([C:53](=[O:54])[O:55][CH:56]([c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[N:50]2[C:51]1=[O:52].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[CH3:1][O:2][N:3]=[C:4]([C:5](=[O:6])[NH:43][CH:44]1[CH:45]2[S:46][CH2:47][C:48]([c:69]3[cH:70][n:71][c:72]([CH2:74][c:75]4[cH:76][n:77][cH:78][cH:79][cH:80]4)[s:73]3)=[C:49]([C:53](=[O:54])[O:55][CH:56]([c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[N:50]2[C:51]1=[O:52])[c:8]1[n:9][c:10]([NH:13][C:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[s:11][cH:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 2724510(Z)-2-(2-Tritylaminothiazol-4-yl)-2-methoxyiminoacetic acidHCID 13960529HCID 13960529, compound

Product 1

HCID 54463668HCID 54463668, compound

Sources & evidence

ORD record
ord-ab51be40a4de49bbba8e2fd59f25b5ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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