HRID288899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1

HCID9845335

未命名化合物

结构：CC(C)c1nc(CN(C)C(=O)NC(C(=O)O)C(C)C)cs1

HCID21878336

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1

HCID5076

N-[4-Hydroxy-1,6-diphenyl-5-({[(1,3-thiazol-5-yl)methoxy]carbonyl}amino)hexan-2-yl]-N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)valinamide

C37H48N6O5S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d918f39672974e01b91d1f87f4a2929e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:63]([N:64]=[C:65]=[N:66][CH2:67][CH2:68][CH2:69][N:70]([CH3:71])[CH3:72])[CH3:73].[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:1][N:2]([CH2:3][c:4]1[n:5][c:6]([CH:9]([CH3:10])[CH3:11])[s:7][cH:8]1)[C:12](=[O:13])[NH:14][CH:15]([CH:16]([CH3:17])[CH3:18])[C:19](=[O:20])[OH:21].[NH2:22][CH:23]([CH2:24][CH:25]([CH:26]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]1[cH:40][n:41][cH:42][s:43]1)[OH:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[OH2:52].[OH:53][n:54]1[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[CH3:1][N:2]([CH2:3][c:4]1[n:5][c:6]([CH:9]([CH3:10])[CH3:11])[s:7][cH:8]1)[C:12](=[O:13])[NH:14][CH:15]([CH:16]([CH3:17])[CH3:18])[C:19](=[O:21])[NH:22][CH:23]([CH2:24][CH:25]([CH:26]([CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[NH:34][C:35](=[O:36])[O:37][CH2:38][c:39]1[cH:40][n:41][cH:42][s:43]1)[OH:44])[CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1