Trifluoroacetic acid → HCID 66662721, compound

HRID 144794Notes

Reaction equation

HRID 144794 reaction equation
[F:13][C:14]([F:15])([F:16])[C:17]([OH:18])=[O:19].[O:1]=[C:2]([O:3][CH2:4][CH3:5])[N:6]=[N:7][C:8]([O:9][CH2:10][CH3:11])=[O:12].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:20][CH:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([C:33]3([C:36](=[O:37])[N:38]4[CH2:39][C:40]5([O:41][C:42](=[O:49])[c:43]6[c:44]5[cH:45][cH:46][cH:47][cH:48]6)[CH2:50][CH2:51]4)[CH2:34][CH2:35]3)[cH:31][n:32]2)[CH2:25][CH2:26]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[n:52]1[cH:53][cH:54][c:55]([OH:58])[cH:56][cH:57]1>>[O:20]([CH:21]1[CH2:22][CH2:23][N:24]([c:27]2[cH:28][cH:29][c:30]([C:33]3([C:36](=[O:37])[N:38]4[CH2:39][C:40]5([O:41][C:42](=[O:49])[c:43]6[c:44]5[cH:45][cH:46][cH:47][cH:48]6)[CH2:50][CH2:51]4)[CH2:34][CH2:35]3)[cH:31][n:32]2)[CH2:25][CH2:26]1)[c:55]1[cH:54][cH:53][n:52][cH:57][cH:56]1

Participants

7

Reactant 6

HCID 6422Trifluoroacetic acidHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 66662636HCID 66662636, compoundHCID 178418642HCID 178418642, compound

Product 1

HCID 66662721HCID 66662721, compound

Sources & evidence

ORD record
ord-12e2d6e8969847dea3794a281a39a259
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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