HRID300990

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：COc1ccc(S(=O)(=O)Cl)cc1C(=O)OCCS(=O)(=O)c1ccc(C)cc1

HCID22479362

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)n2c(S(=O)Cc3nccc(OCC(F)(F)F)c3C)nc3ccccc32)cc1C(=O)OCCS(=O)(=O)c1ccc(C)cc1

HCID20786436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5087ff8e79a41c083b3cbef356cf723
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18][c:19]3[c:20]([nH: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:28][S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([O:53][CH3:54])[c:36]([C:37](=[O:38])[O:39][CH2:40][CH2:41][S:42](=[O:43])(=[O:44])[c:45]2[cH:46][cH:47][c:48]([CH3:51])[cH:49][cH:50]2)[cH:52]1.[Cl:56][CH2:57][Cl:58].[H-:27].[Na+:26].[OH2:55]>>[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:29](=[O:30])(=[O:31])[c:32]2[cH:33][cH:34][c:35]([O:53][CH3:54])[c:36]([C:37](=[O:38])[O:39][CH2:40][CH2:41][S:42](=[O:43])(=[O:44])[c:45]4[cH:46][cH:47][c:48]([CH3:51])[cH:49][cH:50]4)[cH:52]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]