HRID688904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cn1nc(NCC(=O)NC2CN(C3CCC(C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID56661559

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(NCC(=O)NC2CN(C3CCC(C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID54754845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e96f9e20987f4978b75c836a78610539
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

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:1][n:2]1[n:3][c:4]([NH:15][CH2:16][C:17](=[O:18])[NH:19][CH:20]2[CH2:21][N:22]([CH:24]3[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[OH:32])[CH2:28][CH2:29]3)[CH2:23]2)[c:5]2[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][c:10]12.[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[Cl:60][CH2:61][Cl:62].[NH3:54].[OH:44][n:45]1[c:46]2[c:47]([cH:48][cH:49][cH:50][cH:51]2)[n:52][n:53]1>>[CH3:1][n:2]1[n:3][c:4]([NH:15][CH2:16][C:17](=[O:18])[NH:19][CH:20]2[CH2:21][N:22]([CH:24]3[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[NH2:35])[CH2:28][CH2:29]3)[CH2:23]2)[c:5]2[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][c:10]12