Dimethylformamide → Methyl 2-[4-[[2-acetamido-3-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]prop-2-enoyl]amino]butoxy]-6-phenylmethoxybenzoate
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[OH:8])=[CH:9][c:10]1[cH:11][c:12]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:13]([N:16]2[S:17](=[O:22])(=[O:23])[NH:18][C:19](=[O:21])[CH2:20]2)[cH:14][cH:15]1.[CH3:65][O:66][C:67]([c:68]1[c:69]([O:82][CH2:83][CH2:84][CH2:85][CH2:86][NH2:87])[cH:70][cH:71][cH:72][c:73]1[O:74][CH2:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)=[O:88].[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[O:89]=[CH:90][N:91]([CH3:92])[CH3:93].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:1]([CH3:2])(=[O:3])[NH:4][C:5]([C:6](=[O:7])[NH:87][CH2:86][CH2:85][CH2:84][CH2:83][O:82][c:69]1[c:68]([C:67]([O:66][CH3:65])=[O:88])[c:73]([O:74][CH2:75][c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:72][cH:71][cH:70]1)=[CH:9][c:10]1[cH:11][c:12]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:13]([N:16]2[S:17](=[O:22])(=[O:23])[NH:18][C:19](=[O:21])[CH2:20]2)[cH:14][cH:15]1Participants
7
Reactant 6
HCID 6228Dimethylformamide
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 684293722-(4-Aminobutoxy)-6-benzyloxybenzoic Acid Methyl Ester
HCID 688400802-Acetamido-3-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]prop-2-enoic acidProduct 1
Sources & evidence
- ORD record
- ord-fea38e2f231c4ade8201cd2bbea64b89
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…