HRID674717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID22936351

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Sc3ccc(NC(=O)Oc4ccccc4)s3)c2cc1OC

HCID58930898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74ecdf3423734832b6a46e44c0f2077b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][cH:18][c:19]([NH2:21])[s:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl:28][C:29](=[O:30])[O:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([S:15][c:16]3[cH:17][cH:18][c:19]([NH:21][C:29](=[O:30])[O:31][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[s:20]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH3:14]