Water → HCID 135423412, compound

HRID 293244Notes

Reaction equation

HRID 293244 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[cH:13][cH:14][c:15]([nH:16]3)[c:17](-[c:53]3[c:54]([CH3:61])[cH:55][c:56]([CH3:60])[cH:57][c:58]3[CH3:59])[c:18]3[cH:19][cH:20][c:21]([c:22](-[c:42]4[cH:43][cH:44][c:45]([C:48]([CH3:49])([CH3:50])[CH3:51])[cH:46][cH:47]4)[c:23]4[cH:24][cH:25][c:26]([c:27]([CH:33]5[O:34][CH2:40][C:37]([CH3:38])([CH3:39])[CH2:36][O:35]5)[c:28]5[cH:29][cH:30][c:31]2[n:32]5)[nH:41]4)[n:52]3)[cH:9][cH:10]1.[Cl:70][CH2:71][Cl:72].[F:62][C:63]([F:64])([F:65])[C:66]([OH:67])=[O:68].[OH2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]3[cH:13][cH:14][c:15]([nH:16]3)[c:17](-[c:53]3[c:54]([CH3:61])[cH:55][c:56]([CH3:60])[cH:57][c:58]3[CH3:59])[c:18]3[cH:19][cH:20][c:21]([c:22](-[c:42]4[cH:43][cH:44][c:45]([C:48]([CH3:49])([CH3:50])[CH3:51])[cH:46][cH:47]4)[c:23]4[cH:24][cH:25][c:26]([c:27]([CH:33]=[O:34])[c:28]5[cH:29][cH:30][c:31]2[n:32]5)[nH:41]4)[n:52]3)[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 135481084HCID 135481084, compound

Product 1

HCID 135423412HCID 135423412, compound

Sources & evidence

ORD record
ord-3c952231170343b0a82e46e47b4bc5c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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