Ethanol → 2-(2-Amino-6-benzoyl-4H-quinazolin-3-yl)-ethanesulfonic acid cyclohexyl-methyl-amide

반응식

[CH3:34][CH2:35][OH:36].[CH:1]1([N:7]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][NH:13][CH2:14][c:15]2[c:16]([NH2:29])[cH:17][cH:18][c:19]([C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[cH:20]2)[CH3:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:31]#[C:32][Br:33]>>[CH:1]1([N:7]([S:8](=[O:9])(=[O:10])[CH2:11][CH2:12][N:13]2[CH2:14][c:15]3[c:16]([cH:17][cH:18][c:19]([C:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)=[O:28])[cH:20]3)[N:29]=[C:32]2[NH2:31])[CH3:30])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 10476Cyanogen Bromide

HCID 586251322-(2-Amino-5-benzoyl-benzylamino)-ethanesulfonic acid cyclohexyl-methyl-amide

생성물 1

HCID 586250622-(2-Amino-6-benzoyl-4H-quinazolin-3-yl)-ethanesulfonic acid cyclohexyl-methyl-amide

출처 및 근거

ORD 기록: ord-30d61fbc912e41b7a06d811386c77992
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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