Methanol → HCID 44215984, compound

HRID 180049Notes

Reaction equation

HRID 180049 reaction equation
[CH2:33]([N:34]1[CH2:35][CH2:36][N:37]([CH:38]([c:39]2[cH:40][cH:41][cH:42][c:43]([NH:44][CH2:63][c:64]3[s:65][cH:66][cH:67][cH:68]3)[cH:45]2)[c:46]2[cH:47][cH:48][c:49]([C:50]([N:51]([CH2:52][CH3:53])[CH2:54][CH3:55])=[O:56])[cH:57][cH:58]2)[CH2:59][CH2:60]1)[CH:61]=[CH2:62].[CH3:76][OH:77].[F:69][C:70]([F:71])([F:72])[C:73]([OH:74])=[O:75].[NH2:1][c:2]1[cH:3][c:4]([CH:8]([c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[cH:20][cH:21]2)[N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH:29]=[C:30]([CH3:31])[CH3:32])[CH2:26][CH2:27]2)[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([CH:8]([c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[cH:20][cH:21]2)[N:22]2[CH2:23][CH2:24][N:25]([CH2:28][CH:29]=[C:30]([CH3:31])[CH3:32])[CH2:26][CH2:27]2)[cH:5][cH:6][cH:7]1)[CH2:63][c:64]1[s:65][cH:66][cH:67][cH:68]1

Participants

5

Reactant 4

HCID 887MethanolHCID 6422Trifluoroacetic acidHCID 69341106HCID 69341106, compoundHCID 69341388HCID 69341388, compound

Product 1

HCID 44215984HCID 44215984, compound

Sources & evidence

ORD record
ord-095528e19d7643478faa4d0f3c1ada20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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