Toluene → 3-imino-2-n-propoxycarbonyl-N-phenoxycarbonylthiobutyramide

반응식

[CH3:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[NH:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH2:8][CH3:9])[CH3:10].[O:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C:18](=[O:19])[N:20]=[C:21]=[S:22]>>[NH:1]=[C:2]([CH:3]([C:4](=[O:5])[O:6][CH2:7][CH2:8][CH3:9])[C:21]([NH:20][C:18]([O:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)=[O:19])=[S:22])[CH3:10]

참가 물질

반응물 3

HCID 1140Toluene

HCID 12212046Phenoxycarbonyl isothiocyanate

HCID 21426792n-Propyl 3-iminobutyrate

생성물 1

HCID 214268043-imino-2-n-propoxycarbonyl-N-phenoxycarbonylthiobutyramide

출처 및 근거

ORD 기록: ord-0518d2638542454190daef610e5f3095
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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