HRID2141644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID2737231

5-(2-pyridyl)thiophene-2-sulfonyl chloride

C9H6ClNO2S2

结构：NC(Cc1ccccc1)CN1CCC(Oc2ccc(F)c(F)c2)CC1

HCID69985192

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(NC(Cc1ccccc1)CN1CCC(Oc2ccc(F)c(F)c2)CC1)c1ccc(-c2ccccn2)s1

HCID178527566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5cb9d6758c04485be9694eebf39a886
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([O:16][c:17]2[cH:18][c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:14][CH2:15]1)[NH2:25].[CH3:48][C:49](=[O:50])[CH3:51].[K+:30].[K+:31].[OH2:47].[n:32]1[c:33](-[c:38]2[cH:39][cH:40][c:41]([S:43](=[O:44])(=[O:45])[Cl:46])[s:42]2)[cH:34][cH:35][cH:36][cH:37]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([CH2:9][N:10]1[CH2:11][CH2:12][CH:13]([O:16][c:17]2[cH:18][c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:14][CH2:15]1)[NH:25][S:43]([c:41]1[cH:40][cH:39][c:38](-[c:33]2[n:32][cH:37][cH:36][cH:35][cH:34]2)[s:42]1)(=[O:44])=[O:45]