HRID88805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CC(C)(C)OC(=O)NCCCC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C1=O

HCID19025507

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)C1=O

HCID178453476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-caf2e964c8234e6d97f3339511e3892d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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