HRID702678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

HCID11237632

DO3A-t-Bu-ester

C26H50N4O6

HCID46837194

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN1CCN(CC(=O)NCc2ccc(C(C)(C)C)cc2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

HCID68636242

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b199bc9dfd24c63acf744416cbffec0
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

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