Isopropanol → HCID 77201396, compound

HRID 699286Notes

Reaction equation

HRID 699286 reaction equation
[CH3:77][CH:78]([OH:79])[CH3:80].[Cl:1][c:2]1[c:3](-[c:4]2[c:5]([Cl:6])[cH:7][n:8][c:9]([NH:10][CH:11]3[CH2:12][CH2:13][CH:14]([NH:15][CH2:31][CH:32]([C:33]([F:34])([F:35])[F:36])[OH:37])[CH2:16][CH2:17]3)[cH:18]2)[n:19][c:20]([NH:21][CH2:22][CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[cH:29][cH:30]1.[F:70][C:71]([F:72])([F:73])[CH:74]1[O:75][CH2:76]1.[NH2:38][CH:39]1[CH2:40][CH2:41][CH:42]([NH:45][c:46]2[n:47][cH:48][c:49]([Cl:69])[c:50](-[c:52]3[n:53][c:54]([NH:59][CH2:60][CH:61]4[CH2:62][C:63]([CH3:67])([CH3:68])[O:64][CH2:65][CH2:66]4)[cH:55][cH:56][c:57]3[Cl:58])[cH:51]2)[CH2:43][CH2:44]1>>[CH2:31]([CH:32]([C:33]([F:34])([F:35])[F:36])[OH:37])[NH:38][CH:39]1[CH2:40][CH2:41][CH:42]([NH:45][c:46]2[n:47][cH:48][c:49]([Cl:69])[c:50](-[c:52]3[n:53][c:54]([NH:59][CH2:60][CH:61]4[CH2:62][C:63]([CH3:67])([CH3:68])[O:64][CH2:65][CH2:66]4)[cH:55][cH:56][c:57]3[Cl:58])[cH:51]2)[CH2:43][CH2:44]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 5207692-(Trifluoromethyl)oxiraneHCID 66937183HCID 66937183, compoundHCID 75579128HCID 75579128, compound

Product 1

HCID 77201396HCID 77201396, compound

Sources & evidence

ORD record
ord-c474846d7f3e492bae91ea4a78f622ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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