1,4-Diethyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-8-ylamine → 8-[5-Chloro-2-(1,4-diethyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamino)-pyrimidin-4-ylamino]-1,4-diethyl-1,2,3,4-tetrahydro-benzo[e][1,4]diazepin-5-one
반응식
[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH2:14])[cH:12][cH:13]2.[Cl:17][c:18]1[n:19][cH:20][c:21]([Cl:41])[c:22]([NH:24][c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:40]2)[N:30]([CH2:38][CH3:39])[CH2:31][CH2:32][N:33]([CH2:36][CH3:37])[C:34]3=[O:35])[n:23]1>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([CH2:15][CH3:16])[CH2:7][c:8]2[c:9]1[cH:10][c:11]([NH:14][c:18]1[n:19][cH:20][c:21]([Cl:41])[c:22]([NH:24][c:25]3[cH:26][cH:27][c:28]4[c:29]([cH:40]3)[N:30]([CH2:38][CH3:39])[CH2:31][CH2:32][N:33]([CH2:36][CH3:37])[C:34]4=[O:35])[n:23]1)[cH:12][cH:13]2참가 물질
3
반응물 2
생성물 1
출처 및 근거
- ORD 기록
- ord-5ef9072b75f743db8d3811f43033cb7c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)