HRID195550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID46912008

tert-Butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate

C14H26N2O2

结构：O=C(O)c1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2

HCID59505232

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CCCN(C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)C2)CC1

HCID67546378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8edb27400ef4288b7cdb11fa54f25c5
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

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