Isopropanol → HCID 66829684, compound

HRID 1224175Notes

Reaction equation

HRID 1224175 reaction equation
[CH:34]([OH:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1.[NH2:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:33]1)[CH2:26][CH2:27][O:28][C:29](=[O:32])[N:30]2[CH3:31]>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:33]2)[CH2:26][CH2:27][O:28][C:29](=[O:32])[N:30]3[CH3:31])[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

4

Reactant 3

HCID 3776IsopropanolHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 580154687-amino-1-methyl-4,5-dihydro-3,1-benzoxazepin-2(1H)-one

Product 1

HCID 66829684HCID 66829684, compound

Sources & evidence

ORD record
ord-3d5a459f93d7477d8b68d6794931dc01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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