HRID92780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID7672

Phenyl isocyanate

C7H5NO

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4cccc(N)c4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID69087660

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4cccc(NC(=O)Nc5ccccc5)c4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID69087690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f46cf2e828334506a8ae4d5890e3bb2c
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

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:60][CH2:61][Cl:62].[NH2:17][c:18]1[cH:19][c:20](-[c:24]2[n:25][c:26]3[n:27]([c:41]2-[c:42]2[cH:43][cH:44][c:45]([C:48]4([NH:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH2:49][CH2:50][CH2:51]4)[cH:46][cH:47]2)-[c:28]2[c:29]([n:37][cH:38][cH:39][cH:40]2)[NH:30][c:31]2[c:32]-3[cH:33][cH:34][cH:35][cH:36]2)[cH:21][cH:22][cH:23]1.[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:8]=[C:9]=[N:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>>[O:8]=[C:9]([NH:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[NH:17][c:18]1[cH:19][c:20](-[c:24]2[n:25][c:26]3[n:27]([c:41]2-[c:42]2[cH:43][cH:44][c:45]([C:48]4([NH:52][C:53]([O:54][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:59])[CH2:49][CH2:50][CH2:51]4)[cH:46][cH:47]2)-[c:28]2[c:29]([n:37][cH:38][cH:39][cH:40]2)[NH:30][c:31]2[c:32]-3[cH:33][cH:34][cH:35][cH:36]2)[cH:21][cH:22][cH:23]1