3-amino-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester → 3-[5-Chloro-4-(2-fluoro-6-prop-2-ynylcarbamoyl-phenylamino)-pyrimidin-2-ylamino]-7,8-dihydro-6H-5-oxa-9-aza-benzocycloheptene-9-carboxylic acid isopropyl ester
反応式
[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][O:11][c:12]2[c:13]1[cH:14][cH:15][c:16]([NH2:18])[cH:17]2.[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:40])[c:24]([NH:26][c:27]2[c:28]([C:29](=[O:30])[NH:31][CH2:32][C:33]#[CH:34])[cH:35][cH:36][cH:37][c:38]2[F:39])[n:25]1>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][O:11][c:12]2[c:13]1[cH:14][cH:15][c:16]([NH:18][c:20]1[n:21][cH:22][c:23]([Cl:40])[c:24]([NH:26][c:27]3[c:28]([C:29](=[O:30])[NH:31][CH2:32][C:33]#[CH:34])[cH:35][cH:36][cH:37][c:38]3[F:39])[n:25]1)[cH:17]2参加物
3
反応物 2
生成物 1
出典と根拠
- ORDレコード
- ord-735f25b57d264431bcfbd39a9177ebbe
- 出典データセット
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)