Hydrochloric Acid → HCID 10098315, compound

HRID 696026Notes

Reaction equation

HRID 696026 reaction equation
[CH2:23]([N:24]([CH2:25][CH3:26])[CH2:27][CH3:28])[CH3:29].[Cl:47][CH2:48][Cl:49].[ClH:1].[ClH:2].[F:30][C:31]([c:32]1[cH:33][c:34]([N:42]=[C:43]=[O:44])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:45])[F:46].[n:3]1[cH:4][cH:5][c:6]([CH2:9][O:10][c:11]2[c:12]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1>>[n:3]1[cH:4][cH:5][c:6]([CH2:9][O:10][c:11]2[c:12]([N:17]3[CH2:18][CH2:19][N:20]([C:43]([NH:42][c:34]4[cH:33][c:32]([C:31]([F:30])([F:45])[F:46])[cH:37][c:36]([C:38]([F:39])([F:40])[F:41])[cH:35]4)=[O:44])[CH2:21][CH2:22]3)[cH:13][cH:14][cH:15][cH:16]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 27333143,5-Bis(trifluoromethyl)phenyl isocyanateHCID 22615615HCID 22615615, compound

Product 1

HCID 10098315HCID 10098315, compound

Sources & evidence

ORD record
ord-5d39e0c2b14d4b70a62c2f2259874d9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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