Sulfamic acid 1-ethyl-cyclopropyl ester → 2-[2-Ethyl-1-(1-ethyl-cyclopropoxysulfonylaminocarbonyl)-cyclopropylcarbamoyl]-4-(6-methoxy-isoquinolin-1-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
反応式
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[OH:35])[CH:29]([CH2:31][CH3:32])[CH2:30]2)=[O:36])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1.[CH2:37]([CH3:38])[C:39]1([O:42][S:43]([NH2:44])(=[O:45])=[O:46])[CH2:40][CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:26]([NH:27][C:28]2([C:33](=[O:34])[NH:44][S:43]([O:42][C:39]3([CH2:37][CH3:38])[CH2:40][CH2:41]3)(=[O:45])=[O:46])[CH:29]([CH2:31][CH3:32])[CH2:30]2)=[O:36])[CH2:10][CH:11]([O:13][c:14]2[n:15][cH:16][cH:17][c:18]3[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][c:23]23)[CH2:12]1参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-cbf5474d94bb4ba7aa4c28b0cb5d0c33
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)