4-Nitrophenyl chloroformate → HCID 68675981, compound

HRID 674687Notes

Reaction equation

HRID 674687 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:23])[cH:11][c:12]([CH2:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[OH:22])[cH:13][c:14]1[CH3:15].[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>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH3:23])[cH:11][c:12]([CH2:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[O:22][C:25](=[O:26])[N:53]2[CH2:52][CH2:51][CH:50]([N:46]3[CH2:45][CH2:44][c:43]4[c:42]([cH:41][cH:40][c:39]([O:38][CH3:37])[cH:56]4)[NH:48][C:47]3=[O:49])[CH2:55][CH2:54]2)[cH:13][c:14]1[CH3:15]

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-0933ee0e54ac4592a56d987a5faad119
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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