HRID143666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756666

Biphenyl-3-carbonyl chloride

C13H9ClO

结构：COc1ccc(Cn2nc(NC3CCN(C)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

HCID68516372

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2nc(NC3CCN(C)CC3)c3c(Oc4ccc(NC(=O)c5cccc(-c6ccccc6)c5)cc4F)ccnc32)cc1

HCID68516446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93fdd4ea30994e16b2c6f7c4d9883a93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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