HRID639288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75799

Benzo-1,3-dioxole-5-methylamine

C8H9NO2

结构：O=C(CSc1ccc(Br)cc1)N1Cc2ccc(C(=O)C(Cl)(Cl)Cl)n2Cc2ccccc21

HCID16039367

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc2c(c1)OCO2)c1ccc2n1Cc1ccccc1N(C(=O)CSc1ccc(Br)cc1)C2

HCID16039440

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in the manner of Example 81 from 2,2,2-trichloro-1-[10-{[(4-bromophenyl)thio]acetyl}-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-yl]-ethanone of Example 80 and C-benzo[1,3]dioxol-5-yl-methylamine, m.p. 154-155° C. MS [(+)ESI, m/z]: 590 [M+H]+ Anal. Calcd for C29H24BrN3O4S: C, 58.99; H, 4.10; N, 7.12. Found: C, 58.96; H, 4.26; N, 7.03.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a0561db9630483ca27934c6e0ea24b7
来源数据集: uspto-grants-2010_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07691848B2
来源说明: uspto-grants-2010_04

反应 SMILES

ClC(Cl)(Cl)[C:3]([C:5]1[N:14]2[C:8]([CH2:9][N:10]([C:19](=[O:29])[CH2:20][S:21][C:22]3[CH:27]=[CH:26][C:25]([Br:28])=[CH:24][CH:23]=3)[C:11]3[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=3[CH2:13]2)=[CH:7][CH:6]=1)=[O:4].[O:32]1[C:36]2[CH:37]=[CH:38][C:39]([CH2:41][NH2:42])=[CH:40][C:35]=2[O:34][CH2:33]1>>[O:32]1[C:36]2[CH:37]=[CH:38][C:39]([CH2:41][NH:42][C:3]([C:5]3[N:14]4[C:8]([CH2:9][N:10]([C:19](=[O:29])[CH2:20][S:21][C:22]5[CH:23]=[CH:24][C:25]([Br:28])=[CH:26][CH:27]=5)[C:11]5[CH:18]=[CH:17][CH:16]=[CH:15][C:12]=5[CH2:13]4)=[CH:7][CH:6]=3)=[O:4])=[CH:40][C:35]=2[O:34][CH2:33]1