Hydrochloric Acid → 4-[1-Isopropyl-2-(4-methanesulfonyl-piperazine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:29](=[O:30])[OH:31])[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH3:33][S:34](=[O:35])(=[O:36])[N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[ClH:32]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:29](=[O:31])[N:40]4[CH2:39][CH2:38][N:37]([S:34]([CH3:33])(=[O:35])=[O:36])[CH2:42][CH2:41]4)[n:22]([CH:26]([CH3:27])[CH3:28])[c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1참가 물질
4
반응물 3
생성물 1
출처 및 근거
- ORD 기록
- ord-3f58cc140ba143498b1c667dd6c828b7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)