HRID832000

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID64801

Benzenepropanoyl chloride

C9H9ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC1CCC(Nc2nc(N3CCc4cc(N)ccc43)c3ncn(C(=O)OC(C)(C)C)c3n2)CC1

HCID68924299

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(Nc2nc(N3CCc4cc(NC(=O)CCc5ccccc5)ccc43)c3ncn(C(=O)OC(C)(C)C)c3n2)CC1

HCID68922119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-989fc6b2b64444e3ac012505fd4bf042
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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