Isopropanol → HCID 53325540, compound

HRID 681876Notes

Reaction equation

HRID 681876 reaction equation
[CH:36]([OH:37])([CH3:38])[CH3:39].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1.[NH2:21][c:22]1[cH:23][c:24]2[c:25]([cH:34][cH:35]1)[NH:26][C:27](=[O:33])[CH2:28][CH2:29][C:30]2([CH3:31])[CH3:32]>>[c:2]1([NH:21][c:22]2[cH:23][c:24]3[c:25]([cH:34][cH:35]2)[NH:26][C:27](=[O:33])[CH2:28][CH2:29][C:30]3([CH3:31])[CH3:32])[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 578538307-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 53325540HCID 53325540, compound

Sources & evidence

ORD record
ord-cc63049088914d9a8a3378b7413716ce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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