Water → HCID 68467898, compound

HRID 93597Notes

Reaction equation

HRID 93597 reaction equation
[C:41]([c:42]1[cH:43][n:44][cH:45][cH:46][cH:47]1)(=[O:48])[Cl:49].[CH2:50]([Cl:51])[Cl:52].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][c:20]([Cl:25])[c:21]([Cl:24])[cH:22][cH:23]2)=[O:26])[cH:14][cH:15]1.[OH2:53].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([CH2:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([NH:16][C:17]([c:18]2[cH:19][c:20]([Cl:25])[c:21]([Cl:24])[cH:22][cH:23]2)=[O:26])[cH:14][cH:15]1)[C:41]([c:42]1[cH:43][n:44][cH:45][cH:46][cH:47]1)=[O:48]

Participants

6

Reactant 5

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 82604Nicotinoyl chlorideHCID 68470120Tert-butyl 2-(3-(aminomethyl)-4-(4-(3,4-dichlorobenzamido)phenoxy)phenyl)acetate

Product 1

HCID 68467898HCID 68467898, compound

Sources & evidence

ORD record
ord-9e88c3e950db44a99ea39046852cbe65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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