HRID176163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID140569

Piperidine, 4-(1-methylethyl)-

C8H17N

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC(=O)O)nc32)C(O)C1O

HCID18348387

未命名化合物

PRODUCTS

生成物

结构：COCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CC(=O)N4CCC(C(C)C)CC4)nc32)C(O)C1O

HCID18348459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f263c630992941baa87042033d25a87d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:74]([N:75]([CH:76]([CH3:77])[CH3:78])[CH:79]([CH3:80])[CH3:81])[CH3:82].[CH:1]([CH3:2])([CH3:3])[CH:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1.[CH:48]1([N:49]=[C:50]=[N:51][CH:52]2[CH2:53][CH2:54][CH2:55][CH2:56][CH2:57]2)[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[Cl:83][CH2:84][Cl:85].[OH2:63].[OH:10][CH:11]1[CH:12]([n:20]2[c:21]3[n:22][c:23]([CH2:44][C:45](=[O:46])[OH:47])[n:24][c:25]([NH:29][CH2:30][CH:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[c:26]3[n:27][cH:28]2)[O:13][CH:14]([CH2:17][O:18][CH3:19])[CH:15]1[OH:16].[n:64]1([OH:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[CH2:5][CH2:6][N:7]([C:45]([CH2:44][c:23]2[n:22][c:21]3[n:20]([CH:12]4[CH:11]([OH:10])[CH:15]([OH:16])[CH:14]([CH2:17][O:18][CH3:19])[O:13]4)[cH:28][n:27][c:26]3[c:25]([NH:29][CH2:30][CH:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[n:24]2)=[O:46])[CH2:8][CH2:9]1