Water → TAK-632

HRID 1566371Notes

Reaction equation

HRID 1566371 reaction equation
[CH3:48][N:49]([CH3:50])[C:51](=[O:52])[CH3:53].[CH:41]1([C:44](=[O:45])[Cl:46])[CH2:42][CH2:43]1.[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:13][c:14]1[cH:15][cH:16][c:17]([F:34])[c:18]([NH:20][C:21]([CH2:22][c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)=[O:33])[cH:19]1)[c:10]2[C:11]#[N:12].[OH2:47].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:13][c:14]1[cH:15][cH:16][c:17]([F:34])[c:18]([NH:20][C:21]([CH2:22][c:23]3[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:27][cH:28]3)=[O:33])[cH:19]1)[c:10]2[C:11]#[N:12])[C:44]([CH:41]1[CH2:42][CH2:43]1)=[O:45]

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 31374DimethylacetamideHCID 77637Cyclopropanecarbonyl chlorideHCID 86644708HCID 86644708, compound

Product 1

HCID 46209401TAK-632

Sources & evidence

ORD record
ord-190e5de3403e4dfe8ea4677b2613c8c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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