HRID1543953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)O)c1)N2

HCID67441976

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)NS(C)(=O)=O)c1)N2

HCID67441518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2714be7d7a3147d5ae3d8773d49fb3b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:26]([n:27]1[cH:28][cH:29][n:30][cH:31]1)([n:32]1[cH:33][cH:34][n:35][cH:36]1)=[O:37].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2.[CH3:38][S:39](=[O:40])(=[O:41])[NH2:42].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[N:43]12[CH2:44][CH2:45][CH2:46][N:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:20])[NH:42][S:39]([CH3:38])(=[O:40])=[O:41])[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2