HRID1574145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

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

HCID3883

Lansoprazole

C16H14F3N3O2S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：Cc1ccc(S(=O)(=O)CCOC(=O)COc2cc(C)c(S(=O)(=O)Cl)c(C(C)C)c2)cc1

HCID86592571

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)CCOC(=O)COc2cc(C)c(S(=O)(=O)n3c(S(=O)Cc4nccc(OCC(F)(F)F)c4C)nc4ccccc43)c(C(C)C)c2)cc1

HCID20786421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ef589017d7246979de29e9960dcb2b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:69][CH2:70][Cl:71].[Na+:68].[O-:64][C:65]([OH:66])=[O:67].[c:33]1([CH3:63])[cH:34][cH:35][c:36]([S:39](=[O:40])(=[O:41])[CH2:42][CH2:43][O:44][C:45]([CH2:46][O:47][c:48]2[cH:49][c:50]([CH:59]([CH3:60])[CH3:61])[c:51]([S:55](=[O:56])(=[O:57])[Cl:58])[c:52]([CH3:54])[cH:53]2)=[O:62])[cH:37][cH:38]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:55]([c:51]2[c:50]([CH:59]([CH3:60])[CH3:61])[cH:49][c:48]([O:47][CH2:46][C:45]([O:44][CH2:43][CH2:42][S:39]([c:36]4[cH:35][cH:34][c:33]([CH3:63])[cH:38][cH:37]4)(=[O:40])=[O:41])=[O:62])[cH:53][c:52]2[CH3:54])(=[O:56])=[O:57])[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]