HRID1130627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID104401

Iodomethyl pivalate

C6H11IO2

HCID166653

Hydride

H-

结构：CC(C)C(O)(c1ccc2cc(O)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID22018385

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(O)(c1ccc2cc(OCOC(=O)C(C)(C)C)ccc2c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID22018428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-adff9ba5e3574da1bc77c769b370f15c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])(=[O:53])[O:54][CH2:55][I:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[H-:1].[Na+:2].[O:3]=[CH:4][N:5]([CH3:6])[CH3:7].[OH2:63].[OH:8][c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14]([C:19]([CH:20]([CH3:21])[CH3:22])([OH:23])[c:24]3[n:25][cH:26][n:27]([C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:28]3)[cH:15][c:16]2[cH:17][cH:18]1>>[O:8]([c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14]([C:19]([CH:20]([CH3:21])[CH3:22])([OH:23])[c:24]3[n:25][cH:26][n:27]([C:29]([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)([c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[cH:28]3)[cH:15][c:16]2[cH:17][cH:18]1)[CH2:55][O:54][C:48]([C:49]([CH3:50])([CH3:51])[CH3:52])=[O:53]