HRID1553843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

HCID15234

Pivalic anhydride

C10H18O3

结构：CC(C)NCC(O)COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1

HCID12888989

未命名化合物

PRODUCTS

生成物

结构：CC(C)NCC(COc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)OC(=O)C(C)(C)C

HCID12889001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e85f3ff38b142dfabcba24e556a6ef0
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

[C:35]([O:36][C:37](=[O:38])[C:39]([CH3:40])([CH3:41])[CH3:42])(=[O:43])[C:44]([CH3:45])([CH3:46])[CH3:47].[CH3:28][C:29]([CH3:30])([CH3:31])[C:32]([OH:33])=[O:34].[NH3:48].[OH2:49].[nH:1]1[c:2]([C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][CH:19]([CH2:20][NH:21][CH:22]([CH3:23])[CH3:24])[OH:25])[cH:26][cH:27]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]([C:10](=[O:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][CH:19]([CH2:20][NH:21][CH:22]([CH3:23])[CH3:24])[O:25][C:32]([C:29]([CH3:28])([CH3:30])[CH3:31])=[O:33])[cH:26][cH:27]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12