Formic Acid → HCID 54589249, compound

HRID 196076Notes

Reaction equation

HRID 196076 reaction equation
[CH2:57]([N:58]([CH:59]([CH3:60])[CH3:61])[CH:62]([CH3:63])[CH3:64])[CH3:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:71]([OH:72])=[O:73].[Cl:30][c:31]1[cH:32][c:33]2[c:34]([cH:55][cH:56]1)-[n:35]1[c:36]([CH:43]3[CH2:44][CH2:45][CH:46]([c:49]4[n:50][o:51][c:52]([CH3:54])[cH:53]4)[CH2:47][CH2:48]3)[n:37][n:38][c:39]1[CH2:40][NH:41][CH2:42]2.[OH2:74].[OH:1][CH2:2][C:3]([OH:4])=[O:5].[P-:6]([F:7])([F:8])([F:9])([F:10])([F:11])[F:12].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[OH:1][CH2:2][C:3](=[O:5])[N:41]1[CH2:40][c:39]2[n:35]([c:36]([CH:43]3[CH2:44][CH2:45][CH:46]([c:49]4[n:50][o:51][c:52]([CH3:54])[cH:53]4)[CH2:47][CH2:48]3)[n:37][n:38]2)-[c:34]2[c:33]([cH:32][c:31]([Cl:30])[cH:56][cH:55]2)[CH2:42]1

Participants

9

Reactant 8

HCID 284Formic AcidHCID 757Glycolic AcidHCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 54588934trans-8-chloro-1-[4-(5-methyl-isoxazol-3-yl)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene

Product 1

HCID 54589249HCID 54589249, compound

Sources & evidence

ORD record
ord-eb062ed0a3b240758f87073be9369c81
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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