HRID1119387

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)cc1)NCCCCCC(=O)OCCS(=O)(=O)c1cccc([N+](=O)[O-])c1

HCID86592565

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)NCCCCCC(=O)OCCS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1

HCID20786375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d1ba3dcb5524953b8d73b21b7504ba1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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