HRID301009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID3520

Guanidine

CH5N3

HCID8071

未命名化合物

HCID8882

Cyclopentene

C5H8

HCID32838

Diaminomethaniminium

CH6N3+

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID5360545

Sodium

结构：Cc1cc(C2C=CCC2)c(S(C)(=O)=O)cc1C(=O)Cl

HCID15338768

未命名化合物

HCID86752332

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2C=CCC2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N

HCID9818569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a72e21ab6e224e29a40306b9579d77f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:46]1[CH2:47][CH:48]=[CH:49][CH2:50]1.[CH3:11][c:12]1[c:13]([C:14](=[O:15])[Cl:16])[cH:17][c:18]([S:26](=[O:27])(=[O:28])[CH3:29])[c:19]([CH:21]2[CH:22]=[CH:23][CH2:24][CH2:25]2)[cH:20]1.[CH3:30][CH:31]1[C:32](=[S:33](=[O:34])=[O:35])[C:36]([Br:37])=[C:38]([CH3:39])[CH:40]=[C:41]1[C:42]([O:43][CH3:44])=[O:45].[CH3:73][O:74][CH2:75][CH2:76][O:77][CH3:78].[Cl-:5].[NH2:1][C:2]([NH2:3])=[NH:4].[NH2:6][C:7](=[NH2+:8])[NH2:9].[Na:10].[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][c:57]1[P:58]([c:59]1[cH:60][cH:61][cH:62][cH:63][c:64]1[CH3:65])[c:66]1[cH:67][cH:68][cH:69][cH:70][c:71]1[CH3:72]>>[N:1](=[C:2]([NH2:3])[NH2:4])[C:14]([c:13]1[c:12]([CH3:11])[cH:20][c:19]([CH:21]2[CH:22]=[CH:23][CH2:24][CH2:25]2)[c:18]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:17]1)=[O:15]