Ammonia → 2,3,4,5-Tetrahydro-1-benzoxepin-5-amine

HRID 120001

반응식

HRID 120001 반응식
[BH4-:14].[CH3:18][O:19][CH2:20][CH2:21][O:22][CH3:23].[Cl-:24].[Cl-:25].[Cl-:26].[Cl-:27].[NH3:17].[Na+:15].[O:1]1[CH2:2][CH2:3][CH2:4][C:5](=[N:12][OH:13])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2.[OH2:16].[Ti+4:28]>>[O:1]1[CH2:2][CH2:3][CH2:4][CH:5]([NH2:12])[c:6]2[c:7]1[cH:8][cH:9][cH:10][cH:11]2

참가 물질

9

반응물 8

HCID 222AmmoniaHCID 312Chloride4회HCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 732003533,4-dihydro-1-benzoxepin-5(2H)-one oxime

생성물 1

HCID 156196982,3,4,5-Tetrahydro-1-benzoxepin-5-amine

출처 및 근거

ORD 기록
ord-b45529faa97949978b664a2137748911
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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