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Dimethyl Sulfoxide → 2-[(3-Trifluoromethyl-benzylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

HRID 151672
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HRID 151672 반응식
[CH3:40][S:41]([CH3:42])=[O:43].[F:27][C:28]([c:29]1[cH:30][c:31]([CH2:32][NH2:33])[cH:34][cH:35][cH:36]1)([F:37])[F:38].[OH2:39].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][O:14][c:15]3[c:16]([c:17]4[c:21]([cH:22][cH:23]3)[NH:20][C:19](=[O:24])[CH2:18]4)[O:25]2)(=[O:8])=[O:9])[cH:10][cH:26]1>>[CH2:11]([CH:12]1[CH2:13][O:14][c:15]2[c:16]([c:17]3[c:21]([cH:22][cH:23]2)[NH:20][C:19](=[O:24])[CH2:18]3)[O:25]1)[NH:33][CH2:32][c:31]1[cH:30][c:29]([C:28]([F:27])([F:37])[F:38])[cH:36][cH:35][cH:34]1
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참가 물질

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반응물 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 759623-(Trifluoromethyl)benzylamineHCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonate

생성물 1

HCID 119903982-[(3-Trifluoromethyl-benzylamino)-methyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

출처 및 근거

ORD 기록
ord-16e67a6bd3aa4c7086f97f93ccbb25bf
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출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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