4-Nitrophenyl chloroformate → HCID 68675981, compound

HRID 142753Notes

Reaction equation

HRID 142753 reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([CH3:21])[c:9]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:10]([CH3:12])[cH:11]1)[OH:22])=[O:23].[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]2[c:43]([cH:56]1)[CH2:44][CH2:45][N:46]([CH:50]1[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]1)[C:47](=[O:49])[NH:48]2.[Cl:24][C:25](=[O:26])[O:27][c:28]1[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]1>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([CH3:21])[c:9]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:10]([CH3:12])[cH:11]1)[O:22][C:25](=[O:26])[N:53]1[CH2:52][CH2:51][CH:50]([N:46]2[CH2:45][CH2:44][c:43]3[c:42]([cH:41][cH:40][c:39]([O:38][CH3:37])[cH:56]3)[NH:48][C:47]2=[O:49])[CH2:55][CH2:54]1)=[O:23]

Participants

4

Reactant 3

HCID 821294-Nitrophenyl chloroformateHCID 183568527-methoxy-3-(piperidin-4-yl)-4,5-dihydro-1H-benzo[d][1,3]diazepin-2(3H)-oneHCID 77257674Methyl 3-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-hydroxypropanoate

Product 1

HCID 68675981HCID 68675981, compound

Sources & evidence

ORD record
ord-714326ca3e5f46a9a98ccd1fc68d9429
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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