HRID1153413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：C#Cc1ccnc2[nH]cc(C(O)c3c(F)ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)c3F)c12

HCID59487255

未命名化合物

PRODUCTS

生成物

HCID46909735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9a00329ba6d4c93b39f0857bccfbe40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1](#[CH:2])[c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[nH:9][cH:10][c:11]2[CH:12]([c:13]1[c:14]([F:34])[c:15]([NH:20][S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:16][cH:17][c:18]1[F:19])[OH:35].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH2:36]>>[C:1](#[CH:2])[c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[nH:9][cH:10][c:11]2[C:12]([c:13]1[c:14]([F:34])[c:15]([NH:20][S:21](=[O:22])(=[O:23])[c:24]2[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:16][cH:17][c:18]1[F:19])=[O:35]