HRID86969

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61252

3(2H)-Thiophenone, dihydro-

C4H6OS

HCID561203

1-N-Cbz-3-pyrrolidinone

C12H13NO3

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCN(C(=O)OCc3ccccc3)C2)C1

HCID178521346

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCSC2)C1

HCID178521347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-174b8837d9d341e3aeefb01865b1855a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][N:15]([CH:18]3[CH2:19][N:20]([C:23]([O:24][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)=[O:32])[CH2:21][CH2:22]3)[CH2:16][CH2:17]2)[cH:33][cH:34][cH:35]1)([F:36])[F:37].[O:44]=[C:45]1[CH2:46][CH2:47][N:48]([C:49]([O:50][CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)=[O:58])[CH2:59]1.[S:38]1[CH2:39][CH2:40][C:41](=[O:42])[CH2:43]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH:13]2[CH2:14][N:15]([CH:18]3[CH2:19][S:38][CH2:21][CH2:22]3)[CH2:16][CH2:17]2)[cH:33][cH:34][cH:35]1)([F:36])[F:37]