HRID215013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID77813

2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-

C7H10O3

结构：CC(c1cccc2ccccc12)N(CC1CCNCC1c1ccccc1)C(=O)OC(C)(C)C

HCID72536010

未命名化合物

PRODUCTS

生成物

结构：CC(c1cccc2ccccc12)N(CC1CCN(C(=O)CC(C)(C)CC(=O)O)CC1c1ccccc1)C(=O)OC(C)(C)C

HCID178435696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4965c898f7f94775962791b513322414
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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