HRID148129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

结构：NCc1csc2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(NCC3CC3)c1=O)N2

HCID136358494

未命名化合物

PRODUCTS

生成物

结构：O=c1c(C2=NS(=O)(=O)c3c(CNS(=O)(=O)c4ccccc4)csc3N2)c(O)c2ccccc2n1NCC1CC1

HCID136358514

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bef9456462f4e20bbb3dc914420a7fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[NH2:1][CH2:2][c:3]1[cH:4][s:5][c:6]2[c:11]1[S:10](=[O:12])(=[O:13])[N:9]=[C:8]([c:14]1[c:15](=[O:30])[n:16]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]1[OH:24])[NH:7]2.[S:38](=[O:39])(=[O:40])([Cl:41])[Cl:42].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[NH:1]([CH2:2][c:3]1[cH:4][s:5][c:6]2[c:11]1[S:10](=[O:12])(=[O:13])[N:9]=[C:8]([c:14]1[c:15](=[O:30])[n:16]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]1[OH:24])[NH:7]2)[S:38](=[O:39])(=[O:40])[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1