Ethyl Acetate → HCID 19966002, compound

HRID 1140865Notes

Reaction equation

HRID 1140865 reaction equation
[C:1]([CH2:2][CH2:3][C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)(=[O:14])[O:15][CH:16]([CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1)[CH2:24][CH2:25][c:26]1[cH:27][c:28]([NH:36][C:37]([CH2:38][CH:39]2[c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[O:46][c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]32)=[O:53])[c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[H:54][H:55]>>[C:1]([CH2:2][CH2:3][C:4](=[O:5])[OH:6])(=[O:14])[O:15][CH:16]([CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1)[CH2:24][CH2:25][c:26]1[cH:27][c:28]([NH:36][C:37]([CH2:38][CH:39]2[c:40]3[cH:41][cH:42][cH:43][cH:44][c:45]3[O:46][c:47]3[cH:48][cH:49][cH:50][cH:51][c:52]32)=[O:53])[c:29]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:30][cH:31]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 220787521-O-benzyl 4-O-[4-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]-1-cyclohexylbutan-2-yl] butanedioateHCID 178418361HCID 178418361, compound

Product 1

HCID 19966002HCID 19966002, compound

Sources & evidence

ORD record
ord-a5d204c363ea4721b6ea72dedccc768e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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