HRID93063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

结构：O=Cc1c(COc2ccc3ccccc3c2)n(CCCC(=O)NS(=O)(=O)C(F)(F)F)c2ccc(NC(=O)C3CCCC3)cc12

HCID9917234

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCn1c(COc2ccc3ccccc3c2)c(C(=O)O)c2cc(NC(=O)C3CCCC3)ccc21)NS(=O)(=O)C(F)(F)F

HCID9939354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa66a7c60aba4ee299bdcffbc1e8ec4e
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

[C:45]([CH3:46])([CH3:47])([CH3:48])[OH:49].[CH3:50][C:51](=[CH:52][CH3:53])[CH3:54].[CH:1](=[O:2])[c:3]1[c:4]([CH2:33][O:34][c:35]2[cH:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43][cH:44]2)[n:5]([CH2:20][CH2:21][CH2:22][C:23]([NH:24][S:25](=[O:26])(=[O:27])[C:28]([F:29])([F:30])[F:31])=[O:32])[c:6]2[cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:10][c:11]12.[OH2:55]>>[C:1](=[O:2])([c:3]1[c:4]([CH2:33][O:34][c:35]2[cH:36][c:37]3[cH:38][cH:39][cH:40][cH:41][c:42]3[cH:43][cH:44]2)[n:5]([CH2:20][CH2:21][CH2:22][C:23]([NH:24][S:25](=[O:26])(=[O:27])[C:28]([F:29])([F:30])[F:31])=[O:32])[c:6]2[cH:7][cH:8][c:9]([NH:12][C:13](=[O:14])[CH:15]3[CH2:16][CH2:17][CH2:18][CH2:19]3)[cH:10][c:11]12)[OH:49]