HRID134703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCCc1nc(C)n(-c2ccc(OC(C)(C)C(=O)OC)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460805

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C)n(-c2ccc(OC(C)(C)CO)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1F

HCID57460806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cee922712314b94aca2b70d16723c62
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:41])[c:12]([CH2:15][c:16]3[c:17]([CH2:38][CH2:39][CH3:40])[n:18][c:19]([CH3:37])[n:20](-[c:23]4[cH:24][cH:25][c:26]([O:27][C:28]([C:29](=[O:30])[O:31][CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]4)[c:21]3=[O:22])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:48]>>[C:1](#[N:2])[c:3]1[c:4](-[c:9]2[cH:10][c:11]([F:41])[c:12]([CH2:15][c:16]3[c:17]([CH2:38][CH2:39][CH3:40])[n:18][c:19]([CH3:37])[n:20](-[c:23]4[cH:24][cH:25][c:26]([O:27][C:28]([CH2:29][OH:30])([CH3:33])[CH3:34])[cH:35][cH:36]4)[c:21]3=[O:22])[cH:13][cH:14]2)[cH:5][cH:6][cH:7][cH:8]1