HRID1222827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID784

Hydrogen peroxide

H2O2

HCID795

Imidazole

C3H4N2

HCID7088

2-Chlorophenothiazine

C12H8ClNS

HCID69364

Propanoyl chloride, 3-chloro-

C3H4Cl2O

HCID1713184

3-Chloro-1-(2-chloro-phenothiazin-10-yl)-propan-1-one

C15H11Cl2NOS

结构：O=C(CCCl)N1c2ccccc2S(=O)c2ccc(Cl)cc21

HCID20569684

未命名化合物

PRODUCTS

生成物

结构：O=C(CCn1ccnc1)N1c2ccccc2S(=O)c2ccc(Cl)cc21

HCID20569797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eaea1da998d40a79cacf17d35ac526c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[S:12](=[O:16])[c:11]1[c:6]([cH:7][cH:8][cH:9][cH:10]1)[N:5]2[C:17]([CH2:18][CH2:19][Cl:20])=[O:21].[Cl:22][c:23]1[cH:24][cH:25][c:26]2[c:35]([cH:36]1)[NH:34][c:29]1[c:28]([cH:33][cH:32][cH:31][cH:30]1)[S:27]2.[Cl:37][CH2:38][CH2:39][C:40]([Cl:41])=[O:42].[Cl:43][c:44]1[cH:45][cH:46][c:47]2[c:61]([cH:62]1)[N:55]([C:56](=[O:57])[CH2:58][CH2:59][Cl:60])[c:50]1[c:49]([cH:54][cH:53][cH:52][cH:51]1)[S:48]2.[OH:63][OH:64].[cH:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[nH:65]1[cH:66][n:67][cH:68][cH:69]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:13]([cH:14][cH:15]1)[S:12](=[O:16])[c:11]1[c:6]([cH:7][cH:8][cH:9][cH:10]1)[N:5]2[C:17]([CH2:18][CH2:19][n:65]1[cH:66][n:67][cH:68][cH:69]1)=[O:21]