HRID94707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6212

Chloroform

CHCl3

HCID122205

未命名化合物

HCID498716

未命名化合物

结构：COC(=O)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=O

HCID178501571

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1c[nH]c2ccccc12)NC(C)C(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC

HCID178500017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-452c20191fc24c628e6b91ebb987e5ae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:56]([BH3-:57])#[N:58].[CH3:60][OH:61].[CH:62]([Cl:63])([Cl:64])[Cl:65].[NH2:40][CH:41]([C:42](=[O:43])[O:44][CH3:45])[CH2:46][c:47]1[cH:48][nH:49][c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]12.[Na+:59].[O:1]=[C:2]([CH:3]([C:4](=[O:5])[O:6][CH3:7])[NH:8][C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH3:28].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1>>[CH:2]([CH:3]([C:4](=[O:5])[O:6][CH3:7])[NH:8][C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)([CH3:28])[NH:40][CH:41]([C:42](=[O:43])[O:44][CH3:45])[CH2:46][c:47]1[cH:48][nH:49][c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]12