HRID206688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID813

Potassium cation

K+

2 次

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID24648

Sulfuryl chloride

Cl2O2S

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)C(C)(C)O4)CC2)cc1

HCID67420208

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(NCc3ccccc3)C(C)(C)O4)CC2)cc1

HCID10206391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bc0bc1d2f0c4c7fb775b271e7e25d47
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:51](=[O:52])([O-:53])[O-:54].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([CH3:35])[c:23]([CH3:34])[c:24]4[c:25]([c:32]3[CH3:33])[CH:26]([OH:31])[C:27]([CH3:29])([CH3:30])[O:28]4)[CH2:19][CH2:20]2)[cH:13][cH:14]1.[CH4:6].[K+:55].[K+:56].[NH2:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[S:1]([Cl:2])([Cl:3])(=[O:4])=[O:5]>>[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]([N:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([CH3:35])[c:23]([CH3:34])[c:24]4[c:25]([c:32]3[CH3:33])[CH:26]([NH:43][CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[C:27]([CH3:29])([CH3:30])[O:28]4)[CH2:19][CH2:20]2)[cH:13][cH:14]1