HRID1537510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID72

3,4-Dihydroxybenzoic acid

C7H6O4

结构：CNC(=O)CCC(C(=O)NCc1ccc(O)c(O)c1)N(C(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178485708

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)CCC(C(=O)NCc1ccc(O)c(O)c1)N(C(=O)c1ccc(O)c(O)c1)C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID178485706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-354d700965724002b019b0b176ac3b31
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

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