HRID99984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID4118584

ST51005993

C10H18N2O2

HCID68765993

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1nc2cc(CCC3(C)N=C(OC)C(C(C)C)N=C3OC)ccc2o1

HCID77569530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d8b2280a4af4428863c5ed57d55b7a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:15]([Li:16])[CH2:17][CH2:18][CH3:19].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[CH:1]([CH3:2])([CH3:3])[CH:4]1[N:5]=[C:6]([O:13][CH3:14])[CH:7]([CH3:12])[N:8]=[C:9]1[O:10][CH3:11].[Cl-:37].[I:20][CH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]2[c:27]([n:28][c:29]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[o:30]2)[cH:36]1.[NH4+:38]>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[N:5]=[C:6]([O:13][CH3:14])[C:7]([CH3:12])([CH2:21][CH2:22][c:23]2[cH:24][cH:25][c:26]3[c:27]([n:28][c:29]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[o:30]3)[cH:36]2)[N:8]=[C:9]1[O:10][CH3:11]