HRID1217295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6058

Cysteamine

C2H7NS

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C=O)c3c2)c1=O

HCID17852368

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCSC1c1nsc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc12

HCID20634244

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f3db1851ed54212b95cbab7773483e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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