HRID107805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7413

Cyclohexanecarboxylic acid

C7H12O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N)nc(-c3cccc(Cl)c3)c2c1

HCID10227423

未命名化合物

HCID178458057

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(NC(=O)C3CCCCC3)nc(-c3cccc(Cl)c3)c2c1

HCID22136485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a0dfe46a83f4b22bfabbb20f558c415
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:43]([C:44]([NH:45][CH2:46][CH2:47][CH2:48][N:49]([CH3:50])[CH3:51])=[NH:52])[CH3:53].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([C:19]([OH:20])([c:21]3[cH:22][n:23][cH:24][n:25]3[CH3:26])[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:8][c:9]2[c:10](-[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[n:11]1.[OH2:76].[OH:34][C:35](=[O:36])[CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:1]([c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([C:19]([OH:20])([c:21]3[cH:22][n:23][cH:24][n:25]3[CH3:26])[c:27]3[cH:28][cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[cH:8][c:9]2[c:10](-[c:12]2[cH:13][c:14]([Cl:18])[cH:15][cH:16][cH:17]2)[n:11]1)[C:35](=[O:34])[CH:37]1[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1