HRID97256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1

HCID3883

Lansoprazole

C16H14F3N3O2S

HCID6344

Dichloromethane

CH2Cl2

HCID166653

Hydride

H-

结构：O=C(COc1ccc(S(=O)(=O)Cl)cc1OCC(=O)OCCS(=O)(=O)c1ccccc1)OCCS(=O)(=O)c1ccccc1

HCID20786399

未命名化合物

PRODUCTS

生成物

结构：Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c2ccccc2)c(OCC(=O)OCCS(=O)(=O)c2ccccc2)c1

HCID20786400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49f9e96308f543eaa7f175a7ecd888b5
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

[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[nH:18][c:19]3[c:20]([n:21]2)[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[Cl:71][CH2:72][Cl:73].[H-:27].[Na+:26].[OH2:70].[c:28]1([S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][O:39][C:40]([CH2:41][O:42][c:43]2[c:44]([O:53][CH2:54][C:55](=[O:56])[O:57][CH2:58][CH2:59][S:60](=[O:61])(=[O:62])[c:63]3[cH:64][cH:65][cH:66][cH:67][cH:68]3)[cH:45][c:46]([S:49](=[O:50])(=[O:51])[Cl:52])[cH:47][cH:48]2)=[O:69])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([n:21]2[S:49]([c:46]2[cH:45][c:44]([O:53][CH2:54][C:55](=[O:56])[O:57][CH2:58][CH2:59][S:60](=[O:61])(=[O:62])[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:43]([O:42][CH2:41][C:40]([O:39][CH2:38][CH2:37][S:34]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)(=[O:35])=[O:36])=[O:69])[cH:48][cH:47]2)(=[O:50])=[O:51])[cH:22][cH:23][cH:24][cH:25]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]