Formaldehyde → HCID 178421395, compound

HRID 88138

Reaction equation

HRID 88138 reaction equation
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH2:30]=[O:31].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[OH:1][CH:2]1[CH2:3][C:4](=[O:22])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[CH:12][C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2.[OH:44][CH2:45][CH2:46][N:47]([CH2:48][CH2:49][OH:50])[CH2:51][CH2:52][OH:53].[SH:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[OH:1][CH:2]1[CH2:3][C:4](=[O:22])[C:5]2([CH3:6])[CH:7]1[CH:8]1[CH2:9][CH2:10][C:11]3=[C:12]([CH2:32][S:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[C:13](=[O:21])[CH2:14][CH2:15][C:16]3([CH3:17])[CH:18]1[CH2:19][CH2:20]2

Participants

7

Reactant 6

HCID 712FormaldehydeHCID 7618TriethanolamineHCID 7969ThiophenolHCID 8058HexaneHCID 8857Ethyl AcetateHCID 62741515-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Product 1

HCID 178421395HCID 178421395, compound

Sources & evidence

ORD record
ord-972571f867e94313b309ea65b380f7cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…