HRID2122869

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID3883

Lansoprazole

C16H14F3N3O2S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：O=C(COc1ccc(S(=O)(=O)Cl)cc1)Nc1ccccn1

HCID18541210

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)Nc2ccccn2)cc1

HCID10240287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5b0ed590824419eb1efa0a5b516977c
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

[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:33][S:34](=[O:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40]([O:41][CH2:42][C:43](=[O:44])[NH:45][c:46]2[n:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53]1.[Cl:54][CH2:55][Cl:56]>>[CH3:1][c:2]1[c:3]([CH2:14][S:15](=[O:16])[c:17]2[n:18]([S:34](=[O:35])(=[O:36])[c:37]3[cH:38][cH:39][c:40]([O:41][CH2:42][C:43](=[O:44])[NH:45][c:46]4[n:47][cH:48][cH:49][cH:50][cH:51]4)[cH:52][cH:53]3)[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]