HRID150651

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

结构：CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID66609

2,6-Di-tert-butyl-4-[(dimethylamino)methyl]phenol

C17H29NO

HCID2826723

azanide

H2N-

HCID3028194

Lithium

结构：CCCCC(C(=O)OC1CC(C)(CC)NC(C)(CC)C1C)C(=O)OC1CC(C)(CC)NC(C)(CC)C1C

HCID20343463

未命名化合物

PRODUCTS

生成物

结构：CCCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)OC1CC(C)(CC)NC(C)(CC)C1C)C(=O)OC1CC(C)(CC)NC(C)(CC)C1C

HCID20343468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6d913610850448182e975f1e235d4ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:38]([CH3:39])([CH3:40])([CH3:41])[c:42]1[cH:43][c:44]([CH2:45][N:46]([CH3:47])[CH3:48])[cH:49][c:50]([C:53]([CH3:54])([CH3:55])[CH3:56])[c:51]1[OH:52].[CH3:1][C:2]1([CH2:36][CH3:37])[NH:3][C:4]([CH2:33][CH3:34])([CH3:35])[CH2:5][CH:6]([O:9][C:10]([CH:11]([C:12](=[O:13])[O:14][CH:15]2[CH:16]([CH3:27])[C:17]([CH2:24][CH3:25])([CH3:26])[NH:18][C:19]([CH2:21][CH3:22])([CH3:23])[CH2:20]2)[CH2:28][CH2:29][CH2:30][CH3:31])=[O:32])[CH:7]1[CH3:8].[CH3:59][C:60](=[O:61])[OH:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[Li:57].[NH2-:58]>>[CH3:1][C:2]1([CH2:36][CH3:37])[NH:3][C:4]([CH2:33][CH3:34])([CH3:35])[CH2:5][CH:6]([O:9][C:10]([C:11]([C:12](=[O:13])[O:14][CH:15]2[CH:16]([CH3:27])[C:17]([CH2:24][CH3:25])([CH3:26])[NH:18][C:19]([CH2:21][CH3:22])([CH3:23])[CH2:20]2)([CH2:28][CH2:29][CH2:30][CH3:31])[CH2:45][c:44]2[cH:43][c:42]([C:38]([CH3:39])([CH3:40])[CH3:41])[c:51]([OH:52])[c:50]([C:53]([CH3:54])([CH3:55])[CH3:56])[cH:49]2)=[O:32])[CH:7]1[CH3:8]