Isopropanol → HCID 59513843, compound

HRID 155962Notes

Reaction equation

HRID 155962 reaction equation
[CH:46]([OH:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([NH:24][C:25]([c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])=[O:34])[cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][c:16]3[CH3:17])[n:7]1.[F:35][C:36]([c:37]1[cH:38][c:39]([NH2:40])[cH:41][cH:42][cH:43]1)([F:44])[F:45]>>[c:2]1([NH:40][c:39]2[cH:38][c:37]([C:36]([F:35])([F:44])[F:45])[cH:43][cH:42][cH:41]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:18]3[cH:19][c:20]([NH:24][C:25]([c:26]4[c:27]([F:33])[cH:28][cH:29][cH:30][c:31]4[F:32])=[O:34])[cH:21][cH:22][cH:23]3)[n:10][n:11]3[c:12]2[cH:13][cH:14][cH:15][c:16]3[CH3:17])[n:7]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 73753-(Trifluoromethyl)anilineHCID 59513742HCID 59513742, compound

Product 1

HCID 59513843HCID 59513843, compound

Sources & evidence

ORD record
ord-ebaab593d961464e9d0ac1727bc94237
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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