HRID677291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID28123

Tetrahydroborate

H4B-

HCID79526

3,4-Bis(benzyloxy)benzaldehyde

C21H18O3

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2N)c1

HCID54358865

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c1

HCID54423878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e231e81f9c8d46ae818a4f8b30eac061
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[BH4-:54].[C:55]([Na:56])#[N:57].[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[cH:35][c:36]([CH:37]=[O:38])[cH:39][cH:40][c:41]1[O:42][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:50][C:51](=[O:52])[OH:53].[CH3:58][OH:59].[NH2:1][c:2]1[c:3]([CH:4]([c:5]2[cH:6][c:7]([CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][cH:9][cH:10]2)[OH:20])[cH:21][c:22]([Cl:25])[cH:23][cH:24]1>>[NH:1]([c:2]1[c:3]([CH:4]([c:5]2[cH:6][c:7]([CH2:11][NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:8][cH:9][cH:10]2)[OH:20])[cH:21][c:22]([Cl:25])[cH:23][cH:24]1)[CH2:37][c:36]1[cH:35][c:34]([O:33][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:41]([O:42][CH2:43][c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:40][cH:39]1