HRID829989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID589223

5-chlorothiophene-2-carbonyl chloride

C5H2Cl2OS

结构：CC(C)(C)OC(=O)N1CCn2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)nc2C1

HCID59483777

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cn2c(n1)CN(C(=O)c1ccc(Cl)s1)CC2)N1CCC2(CC1)CCN(c1ccncc1)CC2

HCID59483860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2eaa662f5c054ef7a3a0702ff1c18ef3
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

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