HCID 69487351, compound → HCID 86589423, compound

HRID 306165Notes

Reaction equation

HRID 306165 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[c:41]2[cH:42][c:43]([CH:48]3[CH2:49][CH2:50]3)[n:44][c:45]([CH3:47])[cH:46]2)[cH:38][cH:39][cH:40]1)[CH3:51]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[c:41]3[cH:42][c:43]([CH:48]4[CH2:49][CH2:50]4)[n:44][c:45]([CH3:47])[cH:46]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25]

Participants

3

Reactant 2

HCID 69487351HCID 69487351, compoundHCID 76849205Carbamic acid,[2-amino-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

Product 1

HCID 86589423HCID 86589423, compound

Sources & evidence

ORD record
ord-aa6d755e2ee34628bc2af13abb25af48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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