2-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide → 2-[5-Chloro-2-(3-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide

HCID 866338783-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine

생성물 1

HCID 866338802-[5-Chloro-2-(3-prop-2-ynyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

출처 및 근거

ORD 기록: ord-a5ff535366924780b80c1048d8cb6121
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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