1-Butanol → HCID 11296366, compound

HRID 156837Notes

Reaction equation

HRID 156837 reaction equation
[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[CH3:35][C:36](=[O:37])[Cl:38].[ClH:50].[F:39][C:40]([c:41]1[cH:42][c:43]([NH2:44])[cH:45][cH:46][cH:47]1)([F:48])[F:49].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]([NH:22][C:23](=[O:24])[n:25]4[cH:26][cH:27][c:28]5[c:29]4[n:30][cH:31][n:32][c:33]5[Cl:34])[cH:19][cH:20][cH:21]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[cH:17][c:18]([NH:22][C:23](=[O:24])[n:25]4[cH:26][cH:27][c:28]5[c:29]4[n:30][cH:31][n:32][c:33]5[NH:44][c:43]4[cH:42][c:41]([C:40]([F:39])([F:48])[F:49])[cH:47][cH:46][cH:45]4)[cH:19][cH:20][cH:21]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 2631-ButanolHCID 313Hydrochloric AcidHCID 6367Acetyl chlorideHCID 73753-(Trifluoromethyl)anilineHCID 86619979HCID 86619979, compound

Product 1

HCID 11296366HCID 11296366, compound

Sources & evidence

ORD record
ord-9ae3e60def4f4f62959ce151bc410129
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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