Acetic Acid → [3-[(4-chlorophenyl)sulfanyl]-1-(2-ethoxy-2-oxoethyl)-2-methyl-4,5,6,7-tetrahydro-1H-indol-4-ylidene]amino acetate

HRID 98904Notes

Reaction equation

HRID 98904 reaction equation
[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH3:42][C:43](=[O:44])[OH:45].[Cl:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([CH3:33])[n:18]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:19]3[c:24]2[C:23](=[N:25][OH:26])[CH2:22][CH2:21][CH2:20]3)[cH:13][cH:14]1.[c:34]1([CH3:35])[c:36]([CH3:37])[cH:38][cH:39][cH:40][cH:41]1>>[CH3:1][C:2](=[O:3])[O:26][N:25]=[C:23]1[CH2:22][CH2:21][CH2:20][c:19]2[n:18]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[c:17]([CH3:33])[c:16]([S:15][c:12]3[cH:11][cH:10][c:9]([Cl:8])[cH:14][cH:13]3)[c:24]21

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 7237O-XyleneHCID 7918Acetic AnhydrideHCID 76689533HCID 76689533, compound

Product 1

HCID 86651383[3-[(4-chlorophenyl)sulfanyl]-1-(2-ethoxy-2-oxoethyl)-2-methyl-4,5,6,7-tetrahydro-1H-indol-4-ylidene]amino acetate

Sources & evidence

ORD record
ord-89bfe6b8f28247a99569280011536eef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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