HRID1570554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

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-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester

C37H48N6O5S2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17b83e0580a241e2925839f42cf8b3ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:77]1[O:78][CH2:79][CH2:80][CH2:81]1.[CH3:41][N:42]([CH2:43][c:44]1[n:45][c:46]([CH:49]([CH3:50])[CH3:51])[s:47][cH:48]1)[C:52](=[O:53])[NH:54][CH:55]([CH:56]([CH3:57])[CH3:58])[C:59](=[O:60])[OH:61].[CH:62]1([N:63]=[C:64]=[N:65][CH:66]2[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]2)[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[NH2:1][CH:2]([CH2:3][CH:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][n:20][cH:21][s:22]1)[OH:23])[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[OH:31][n:32]1[c:33]2[c:34]([cH:35][cH:36][cH:37][cH:38]2)[n:39][n:40]1>>[NH:1]([CH:2]([CH2:3][CH:4]([CH:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][n:20][cH:21][s:22]1)[OH:23])[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[C:59]([CH:55]([NH:54][C:52]([N:42]([CH3:41])[CH2:43][c:44]1[n:45][c:46]([CH:49]([CH3:50])[CH3:51])[s:47][cH:48]1)=[O:53])[CH:56]([CH3:57])[CH3:58])=[O:60]