Acetic Acid → HCID 136464467, compound

HRID 2128383Notes

Reaction equation

HRID 2128383 reaction equation
[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:19][c:20]1[cH:21][c:22]2[c:28]([s:29]1)[NH:27][c:26]1[c:25]([cH:33][cH:32][cH:31][cH:30]1)[N:24]=[C:23]2[NH2:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][S:63]([CH3:64])=[O:65].[OH2:57].[c:1]1([CH2:11][CH2:12][CH:13]2[NH:14][CH2:15][CH2:16][NH:17][CH2:18]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[c:1]1([CH2:11][CH2:12][CH:13]2[NH:14][CH2:15][CH2:16][N:17]([C:23]3=[N:24][c:25]4[c:26]([cH:30][cH:31][cH:32][cH:33]4)[NH:27][c:28]4[c:22]3[cH:21][c:20]([CH3:19])[s:29]4)[CH2:18]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 1140TolueneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 21093654HCID 21093654, compoundHCID 135446208Olanzamine

Product 1

HCID 136464467HCID 136464467, compound

Sources & evidence

ORD record
ord-d8c8a608d16c4527b918ef9c7eff47b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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