3-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine → N-{2-[5-Chloro-2-(3-ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-propyl}-methanesulfonamide

반응식

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

참가 물질

반응물 2

HCID 189434013-Ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine

HCID 86633870N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-propyl]-methanesulfonamide

생성물 1

HCID 66829837N-{2-[5-Chloro-2-(3-ethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-propyl}-methanesulfonamide

출처 및 근거

ORD 기록: ord-dcc52b2c640745c2ac1c63b22a00a000
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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