Water → HCID 68511546, compound

HRID 2325203Notes

Reaction equation

HRID 2325203 reaction equation
[CH3:46][C:47]#[N:48].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:14][c:15]1[c:16]([NH2:17])[cH:18][c:19]([O:24][CH2:25][c:26]2[c:27]([F:35])[c:28]([F:34])[cH:29][cH:30][c:31]2[O:32][CH3:33])[c:20]([O:22][CH3:23])[cH:21]1.[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[OH2:45]>>[c:2]1([NH:17][c:16]2[c:15]([Cl:14])[cH:21][c:20]([O:22][CH3:23])[c:19]([O:24][CH2:25][c:26]3[c:27]([F:35])[c:28]([F:34])[cH:29][cH:30][c:31]3[O:32][CH3:33])[cH:18]2)[n:3][cH:4][n:5][c:6]([CH3:13])[c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]

Participants

6

Reactant 5

HCID 962WaterHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 593096392-Chloro-5-(2,3-difluoro-6-methoxybenzyloxy)-4-methoxyanilineHCID 59310008ethyl 4-chloro-6-methylpyrimidine-5-carboxylate

Product 1

HCID 68511546HCID 68511546, compound

Sources & evidence

ORD record
ord-b2d67c4c523544f7b01f0d59588ad543
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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