Hydrochloric Acid → HCID 68811433, compound

HRID 1236643Notes

Reaction equation

HRID 1236643 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][n:9][o:10][c:11]2[CH:12]2[N:13]([C:17]([O:19][C:18]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH2:14][CH2:15][CH2:16]2)[cH:24][cH:25]1.[ClH:48].[N:35](=[C:36]=[O:37])[c:38]1[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[cH:8][n:9][o:10][c:11]2[CH:12]2[N:13]([C:17](=[O:19])[NH:35][c:38]3[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]3)[CH2:14][CH2:15][CH2:16]2)[cH:24][cH:25]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 81531DiisopropylethylamineHCID 57449743HCID 57449743, compound

Product 1

HCID 68811433HCID 68811433, compound

Sources & evidence

ORD record
ord-74327a532ba7428e99b47499448c9f32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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