HRID2157395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

结构：CC(C)CC(N)C(=O)NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID74946943

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID178446578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5d5ba5c1a3945988b9c894af73f6675
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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