HRID1238440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7504

Benzylamine

C7H9N

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

结构：COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(C(=O)OC(C)(C)C)cc1

HCID69156622

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(-c2ccccc2)c2cc(NCc3ccccc3)ccc2c(=O)n1Cc1ccc(C(=O)OC(C)(C)C)cc1

HCID69157344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c1e506bf5d14c83a98a43490d1c4ed5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][cH:36]2)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([Br:28])[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[NH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Na+:57].[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[OH2:67].[Pd+2:58]>>[CH3:8][O:9][C:10](=[O:11])[c:12]1[n:13]([CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][cH:36]2)[c:14](=[O:29])[c:15]2[cH:16][cH:17][c:18]([NH:44][CH2:45][c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[cH:19][c:20]2[c:21]1-[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1