HRID1239376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID205709

3,4-Dihydro-2H-1-benzopyran-3-amine

C9H11NO

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(C#N)cc21

HCID46221108

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NC4COc5ccccc5C4)cc3)c(C#N)cc21

HCID67080409

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b701ce861baf4cf98b619fa56edc0edb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26].[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Cl:69][CH2:70][CH2:71][Cl:72].[ClH:27].[ClH:50].[O:51]1[CH2:52][CH:53]([NH2:61])[CH2:54][c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]21.[OH2:39].[OH:40][n:41]1[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:61][CH:53]3[CH2:52][O:51][c:60]4[c:55]([cH:56][cH:57][cH:58][cH:59]4)[CH2:54]3)[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26]