tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate → tert-butyl 4-[5-[[1-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]-2-(hydroxymethyl)piperazine-1-carboxylate

HRID 2341056Notes

Reaction equation

HRID 2341056 reaction equation
[C:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[N:39]1[CH:40]([CH2:45][OH:46])[CH2:41][NH:42][CH2:43][CH2:44]1.[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][cH:7][c:8]3[cH:9][c:10]([CH:14]=[C:15]4[C:16](=[O:23])[N:17]=[C:18]([S:20][CH2:21][CH3:22])[S:19]4)[cH:11][cH:12][c:13]23)[cH:24][cH:25][c:26]([C:28]([CH3:29])([CH3:30])[OH:31])[cH:27]1>>[Cl:1][c:2]1[c:3]([CH2:4][n:5]2[n:6][cH:7][c:8]3[cH:9][c:10]([CH:14]=[C:15]4[C:16](=[O:23])[N:17]=[C:18]([N:42]5[CH2:41][CH:40]([CH2:45][OH:46])[N:39]([C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[CH2:44][CH2:43]5)[S:19]4)[cH:11][cH:12][c:13]23)[cH:24][cH:25][c:26]([C:28]([CH3:29])([CH3:30])[OH:31])[cH:27]1

Participants

3

Reactant 2

HCID 11106786tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylateHCID 672417045-{1-[2-Chloro-4-(1-hydroxy-1-methyl-ethyl)benzyl]-1H-indazol-5-ylmethylene}-2-ethylsulfanyl-thiazol-4-one

Product 1

HCID 178452272tert-butyl 4-[5-[[1-[[2-chloro-4-(2-hydroxypropan-2-yl)phenyl]methyl]indazol-5-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]-2-(hydroxymethyl)piperazine-1-carboxylate

Sources & evidence

ORD record
ord-ba24d28b0e5d4d7b80bcb436f2df55d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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