Chloride → N-(4-{2-[5-(1,3-dioxolan-2-yl)-4-methylthiophen-2-yl]vinyl}-1,3-thiazol-2-yl)acetamide

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 581120655-(1,3-Dioxolan-2-yl)-4-methylthiophene-2-carbaldehyde

HCID 86092823(2-Acetamido-1,3-thiazol-4-yl)methyl-triphenylphosphanium

생성물 1

HCID 86650016N-(4-{2-[5-(1,3-dioxolan-2-yl)-4-methylthiophen-2-yl]vinyl}-1,3-thiazol-2-yl)acetamide

출처 및 근거

ORD 기록: ord-60eef7a4a8b443baad4ee5ef37423dc1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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