HRID198511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

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

HCID3883

Lansoprazole

C16H14F3N3O2S

HCID6344

Dichloromethane

CH2Cl2

HCID166653

Hydride

H-

HCID21989438

Sulfurochloridate

ClO3S-

结构：Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccc(S(=O)(=O)Cl)cc2)cc1

HCID59316688

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccc(S(=O)(=O)n3c(S(=O)Cc4nccc(OCC(F)(F)F)c4C)nc4ccccc43)cc2)cc1

HCID20786423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874bed9f88c3470ca62e87d13b266fca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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:60][S:61]([O-:62])(=[O:63])=[O:64].[Cl:65][CH2:66][Cl:67].[H-:27].[Na+:26].[Na+:59].[O-:55][C:56]([OH:57])=[O:58].[c:28]1([CH3:54])[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH2:37][CH2:38][O:39][C:40]([CH2:41][O:42][c:43]2[cH:44][cH:45][c:46]([S:49](=[O:50])(=[O:51])[Cl:52])[cH:47][cH:48]2)=[O:53])[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][cH:44][c:43]([O:42][CH2:41][C:40]([O:39][CH2:38][CH2:37][S:34]([c:31]4[cH:30][cH:29][c:28]([CH3:54])[cH:33][cH:32]4)(=[O:35])=[O:36])=[O:53])[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]