Water → HCID 178473035, compound

HRID 193867Notes

Reaction equation

HRID 193867 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16].[CH3:69][CH2:70][CH2:71][CH2:72][CH2:73][CH3:74].[CH:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH2:64][CH3:65])([CH3:66])[CH3:67].[Cl:75][CH2:76][Cl:77].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH2:68].[OH:25][c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][n:34]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:18]2[cH:19][c:20]([NH:24][C:28]([c:27]3[c:26]([OH:25])[n:34][cH:33][cH:32][cH:31]3)=[O:29])[cH:21][cH:22][cH:23]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16]

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8058HexaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 68836370Methyl 5-(3-aminophenyl)-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylateHCID 178418543HCID 178418543, compound

Product 1

HCID 178473035HCID 178473035, compound

Sources & evidence

ORD record
ord-12bb563fe03d46b288e9b615dc6ce86b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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