HRID214192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7504

Benzylamine

C7H9N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4455752

[Bis(dimethylamino)methylidene]chloranium

C5H12ClN2+

结构：CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C(CNC(=O)OC(C)(C)C)C(=O)O

HCID178449390

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(C(=O)c1cnc(C(C)(C)C)nc1NCc1ccco1)C(CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

HCID178449387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88aaeaeb59af4ca89dab0af3f3356fcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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