HRID1561770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

结构：Cc1nc(-n2cncn2)ccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OC(C)(C)C)CC1

HCID44514685

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-n2cncn2)ccc1Oc1ncnc2c1cnn2C1CCN(C(=O)OC(C)C)CC1

HCID44514400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f01cf9284afe416cbf8bf1942796ff76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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