Toluene → 2-[[(1-Oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl]amino]-2-methyl-1-propanol

HRID 146984

반응식

HRID 146984 반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:11](=[O:12])[O:10][CH2:9]2)[CH3:3].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[NH2:16][C:17]([CH2:18][OH:19])([CH3:20])[CH3:21]>>[C:4](=[O:5])([c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[C:11](=[O:12])[O:10][CH2:9]2)[NH:16][C:17]([CH2:18][OH:19])([CH3:20])[CH3:21]

참가 물질

4

반응물 3

HCID 1140TolueneHCID 118072-Amino-2-methyl-1-propanolHCID 90088Ethyl 1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

생성물 1

HCID 111960052-[[(1-Oxo-1,3-dihydroisobenzofuran-5-yl)carbonyl]amino]-2-methyl-1-propanol

출처 및 근거

ORD 기록
ord-b1124f089b2349a09e88b4d42f49bcd5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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