Acetate → HCID 66711071, compound

HRID 313670Notes

Reaction equation

HRID 313670 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:30][CH3:31])[c:26]([NH2:29])[cH:27][cH:28]3)[CH2:21][CH2:22]2)[CH2:15][CH2:16]1.[CH3:32][S:33](=[O:34])[c:35]1[n:36][n:37]2[c:38]([cH:39][n:40]1)[cH:41][cH:42][c:43]2-[c:44]1[c:45]([O:50][CH3:51])[cH:46][cH:47][cH:48][cH:49]1.[CH3:53][C:54](=[O:55])[O-:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[K+:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([CH:17]2[CH2:18][CH2:19][N:20]([c:23]3[cH:24][c:25]([O:30][CH3:31])[c:26]([NH:29][c:35]4[n:36][n:37]5[c:38]([cH:39][n:40]4)[cH:41][cH:42][c:43]5-[c:44]4[c:45]([O:50][CH3:51])[cH:46][cH:47][cH:48][cH:49]4)[cH:27][cH:28]3)[CH2:21][CH2:22]2)[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 175AcetateHCID 813Potassium CationHCID 6228DimethylformamideHCID 667107912-Methanesulfinyl-7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazineHCID 66711883HCID 66711883, compound

Product 1

HCID 66711071HCID 66711071, compound

Sources & evidence

ORD record
ord-d0d98de6f03b4bc3b60f0305d3dada92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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