HRID1226774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID89715

1,3-Benzenediamine, N,N,N',N'-tetramethyl-

C10H16N2

结构：Cc1ccc2[nH]c(C)c(C(=O)c3ccccc3C(=O)O)c2c1

HCID20471351

2-(2,5-Dimethyl-1H-indole-3-carbonyl)benzoic acid

C18H15NO3

结构：CCn1c(C)c(C2(c3ccc(N(C)C)cc3N(C)C)OC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c2ccccc21

HCID20523564

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2[nH]c(C)c(C3(c4ccc(N(C)C)cc4N(C)C)OC(=O)c4ccccc43)c2c1

HCID20523555

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b79d67754a54f6db2e6af8b6a01b72f
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[nH:3][c:4]2[cH:5][cH:6][c:7]([CH3:22])[cH:8][c:9]2[c:10]1[C:11](=[O:12])[c:13]1[c:14]([C:15](=[O:16])[OH:17])[cH:18][cH:19][cH:20][cH:21]1.[CH3:23][N:24]([c:25]1[cH:26][c:27]([N:31]([CH3:32])[CH3:33])[cH:28][cH:29][cH:30]1)[CH3:34].[CH3:35][C:36]([O:37][C:38](=[O:39])[CH3:40])=[O:41].[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][c:47]([N:48]([CH3:49])[CH3:50])[cH:51][cH:52][c:53]1[C:54]1([c:55]2[c:56]3[c:57]([cH:58][cH:59][cH:60][cH:61]3)[n:62]([CH2:63][CH3:64])[c:65]2[CH3:66])[c:67]2[c:68]([c:69]([Cl:70])[c:71]([Cl:72])[c:73]([Cl:74])[c:75]2[Cl:76])[C:77](=[O:78])[O:79]1>>[CH3:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([CH3:22])[cH:8][c:9]2[c:10]1[C:11]1([c:28]2[c:27]([N:31]([CH3:32])[CH3:33])[cH:26][c:25]([N:24]([CH3:23])[CH3:34])[cH:30][cH:29]2)[c:13]2[c:14]([cH:18][cH:19][cH:20][cH:21]2)[C:15](=[O:16])[O:17]1